(3aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole

C14H21N3 — CID 170682158

IUPAC(3aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESCC(C)c1cccc(N2CC[C@@H]3CNCC32)n1
InChIInChI=1S/C14H21N3/c1-10(2)12-4-3-5-14(16-12)17-7-6-11-8-15-9-13(11)17/h3-5,10-11,13,15H,6-9H2,1-2H3/t11-,13?/m1/s1
InChIKeyRUKTWZQUYXOTHN-JTDNENJMSA-N
MW231.34 g/mol
LogP2.00
Rot. Bonds2

About (3aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole

(3aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (PubChem CID 170682158) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (3aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name(3aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
PubChem CID170682158
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(3aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESCC(C)c1cccc(N2CC[C@@H]3CNCC32)n1
InChIInChI=1S/C14H21N3/c1-10(2)12-4-3-5-14(16-12)17-7-6-11-8-15-9-13(11)17/h3-5,10-11,13,15H,6-9H2,1-2H3/t11-,13?/m1/s1
InChIKeyRUKTWZQUYXOTHN-JTDNENJMSA-N
XLogP2.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole with MolForge

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Related Compounds

(3aS,6aS)-1-(6-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 61142838
(3aS,6aS)-1-(6-methoxy-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 63589001
bis((3aR,6aS)-5-(6-propan-2-yl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole);(3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;5-(6-propan-2-yl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(5R)-9-(6-propan-2-yl-3-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one;(5S)-9-(6-propan-2-yl-3-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one;9-(6-propan-2-yl-3-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
CID 160561075
2-(3-fluoropyrrolidin-1-yl)-6-propan-2-ylpyridine
CID 129154786
(3aS,6aS)-1-(3-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 62254960
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136687968
ethane;4-(6-propan-2-yl-2-pyridinyl)morpholine
CID 177361862
(3aR,6aR)-1-(4-iodophenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 70849566
N-methylmethanamine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
CID 164926851
(3aS,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(4aR,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;bis(N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine);(8S)-N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine;4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
CID 159145500
(3aS,6aS)-1-(5-nitro-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43599149
1-[3-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 73162401

Frequently Asked Questions

What is the IUPAC name of (3aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of (3aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (CID 170682158) is (3aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for (3aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for (3aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is CC(C)c1cccc(N2CC[C@@H]3CNCC32)n1.
What is the InChIKey of (3aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The InChIKey is RUKTWZQUYXOTHN-JTDNENJMSA-N. The full InChI is InChI=1S/C14H21N3/c1-10(2)12-4-3-5-14(16-12)17-7-6-11-8-15-9-13(11)17/h3-5,10-11,13,15H,6-9H2,1-2H3/t11-,13?/m1/s1.
What are the key properties of (3aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
(3aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole has a molecular weight of 231.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 170682158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).