(3aS,6aS)-5-butan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole

C10H20N2 — CID 64850447

IUPAC(3aS,6aS)-5-butan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
SMILESCCC(C)N1C[C@@H]2CCN[C@@H]2C1
InChIInChI=1S/C10H20N2/c1-3-8(2)12-6-9-4-5-11-10(9)7-12/h8-11H,3-7H2,1-2H3/t8?,9-,10+/m0/s1
InChIKeyWABXNLSMGXSGHW-CBMCFHRWSA-N
MW168.28 g/mol
LogP1.08
Rot. Bonds2

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

(3aS,6aS)-5-butan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole (PubChem CID 64850447) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (3aS,6aS)-5-butan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name(3aS,6aS)-5-butan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
PubChem CID64850447
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(3aS,6aS)-5-butan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
SMILESCCC(C)N1C[C@@H]2CCN[C@@H]2C1
InChIInChI=1S/C10H20N2/c1-3-8(2)12-6-9-4-5-11-10(9)7-12/h8-11H,3-7H2,1-2H3/t8?,9-,10+/m0/s1
InChIKeyWABXNLSMGXSGHW-CBMCFHRWSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4aS,7aS)-6-butan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678881
(3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 129229204
2-butan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CID 130577937
(3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 166764383
4-(1-butan-2-ylpyrrolidin-3-yl)piperidine;ethane
CID 170578445
2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propanamide
CID 64851610
3-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)butanenitrile
CID 130684748
2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclohexylpropanamide
CID 64850648
3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane
CID 64944397
4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane
CID 162493112
[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]phosphane
CID 59339920
ethyl 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]propanoate
CID 102682663

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-5-butan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of (3aS,6aS)-5-butan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole (CID 64850447) is (3aS,6aS)-5-butan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for (3aS,6aS)-5-butan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for (3aS,6aS)-5-butan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole is CCC(C)N1C[C@@H]2CCN[C@@H]2C1.
What is the InChIKey of (3aS,6aS)-5-butan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
The InChIKey is WABXNLSMGXSGHW-CBMCFHRWSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-8(2)12-6-9-4-5-11-10(9)7-12/h8-11H,3-7H2,1-2H3/t8?,9-,10+/m0/s1.
What are the key properties of (3aS,6aS)-5-butan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
(3aS,6aS)-5-butan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole has a molecular weight of 168.28 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-5-butan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 64850447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).