(3aR,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

C9H17NO — CID 134166324

IUPAC(3aR,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCC(C)N1C[C@H]2CCO[C@H]2C1
InChIInChI=1S/C9H17NO/c1-7(2)10-5-8-3-4-11-9(8)6-10/h7-9H,3-6H2,1-2H3/t8-,9+/m1/s1
InChIKeyMNKXJQJSSCEEDE-BDAKNGLRSA-N
MW155.24 g/mol
LogP1.12
Rot. Bonds1

About (3aR,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

(3aR,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (PubChem CID 134166324) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3aR,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
PubChem CID134166324
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3aR,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCC(C)N1C[C@H]2CCO[C@H]2C1
InChIInChI=1S/C9H17NO/c1-7(2)10-5-8-3-4-11-9(8)6-10/h7-9H,3-6H2,1-2H3/t8-,9+/m1/s1
InChIKeyMNKXJQJSSCEEDE-BDAKNGLRSA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole with MolForge

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Related Compounds

(6S,7R,7aS)-6-fluoro-7-(fluoromethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 141470020
(7S,7aS)-7-(2-fluoroethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 141470027
(7R,7aS)-6-fluoro-7-(methoxymethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 141470029
(7S,7aS)-7-ethyl-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
CID 141470030
(6R,7R,7aS)-6-fluoro-7-(fluoromethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 141470032
(6R,7S,7aS)-6-fluoro-7-(2-fluoroethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 141470039
(6S,7S,7aS)-7-ethyl-6-fluoro-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 141470045
(6S,7S,7aS)-6-fluoro-7-(2-fluoroethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 141470046
(3aS,6aR)-2-fluoro-1-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 144826637
(6S,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
CID 151473201
3a-fluoro-2,5-dimethyl-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole
CID 176992203
5-(2,2,2-Trifluoroethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 142528095

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The IUPAC name of (3aR,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (CID 134166324) is (3aR,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.
What is the SMILES notation for (3aR,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The canonical SMILES for (3aR,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is CC(C)N1C[C@H]2CCO[C@H]2C1.
What is the InChIKey of (3aR,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The InChIKey is MNKXJQJSSCEEDE-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)10-5-8-3-4-11-9(8)6-10/h7-9H,3-6H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (3aR,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
(3aR,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole has a molecular weight of 155.24 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is sourced from PubChem (CID 134166324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).