4-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole

C10H19N — CID 176800681

IUPAC4-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
SMILESCC(C)C1CCC2NCCC21
InChIInChI=1S/C10H19N/c1-7(2)8-3-4-10-9(8)5-6-11-10/h7-11H,3-6H2,1-2H3
InChIKeyCMGMGRHFFBVVHE-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.03
Rot. Bonds1

About 4-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole

4-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole (PubChem CID 176800681) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 4-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name4-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
PubChem CID176800681
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name4-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
SMILESCC(C)C1CCC2NCCC21
InChIInChI=1S/C10H19N/c1-7(2)8-3-4-10-9(8)5-6-11-10/h7-11H,3-6H2,1-2H3
InChIKeyCMGMGRHFFBVVHE-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-propan-2-yl-1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclonona[b]pyrrole
CID 166956408
2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-benzo[e]indole
CID 112714659
cis-(1S,2S)-1-fluoro-2-propan-2-ylcyclobutane
CID 153486218
4-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole
CID 172523996
1-(3-propan-2-ylpyrrolidin-2-yl)propan-1-one
CID 142148896
(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane
CID 143658128
6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 83905624
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-4-yl(trimethyl)silane
CID 170905623
4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 524017
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
(3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 166764383
(1S,5S,6R)-6-fluoro-2-azabicyclo[3.2.0]heptane
CID 170917898

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
The IUPAC name of 4-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole (CID 176800681) is 4-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole.
What is the SMILES notation for 4-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
The canonical SMILES for 4-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole is CC(C)C1CCC2NCCC21.
What is the InChIKey of 4-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
The InChIKey is CMGMGRHFFBVVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-7(2)8-3-4-10-9(8)5-6-11-10/h7-11H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
4-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole has a molecular weight of 153.27 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole is sourced from PubChem (CID 176800681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).