(6aS)-2-butyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one

C11H17NO — CID 68559403

IUPAC(6aS)-2-butyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one
SMILESCCCCN1CC2=CC(=O)C[C@@H]2C1
InChIInChI=1S/C11H17NO/c1-2-3-4-12-7-9-5-11(13)6-10(9)8-12/h5,10H,2-4,6-8H2,1H3/t10-/m1/s1
InChIKeyKLKRWKBCVCCBFS-SNVBAGLBSA-N
MW179.26 g/mol
LogP1.62
Rot. Bonds3

About (6aS)-2-butyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one

(6aS)-2-butyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one (PubChem CID 68559403) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (6aS)-2-butyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one.

Molecular Properties

Compound Name(6aS)-2-butyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one
PubChem CID68559403
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(6aS)-2-butyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one
SMILESCCCCN1CC2=CC(=O)C[C@@H]2C1
InChIInChI=1S/C11H17NO/c1-2-3-4-12-7-9-5-11(13)6-10(9)8-12/h5,10H,2-4,6-8H2,1H3/t10-/m1/s1
InChIKeyKLKRWKBCVCCBFS-SNVBAGLBSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6aS)-2-butyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one 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

3-benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 165353165
1-butylpyrrolidin-3-one
CID 23052762
4-butyl-1-methylpiperazin-2-one
CID 117005150
1-(1-methyl-5-oxopyrrolidin-3-yl)-3-pentylurea
CID 56794755
1,4-dibutylpiperazine-2,5-dione
CID 19902955
butane;1-butylpiperidin-4-one
CID 177152756
4-butyl-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene
CID 123322196
(6S)-3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one
CID 15068666
3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one
CID 21293379
3,7-di(nonyl)-1-oxido-1,3-diazocan-5-one
CID 87908193
6-methoxy-2-pentyl-3,4,4a,5-tetrahydro-1H-isoquinoline
CID 68537925
3,5-dimethylcyclohex-2-en-1-one;ethane;pentane
CID 144844935

Frequently Asked Questions

What is the IUPAC name of (6aS)-2-butyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one?
The IUPAC name of (6aS)-2-butyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one (CID 68559403) is (6aS)-2-butyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one.
What is the SMILES notation for (6aS)-2-butyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one?
The canonical SMILES for (6aS)-2-butyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one is CCCCN1CC2=CC(=O)C[C@@H]2C1.
What is the InChIKey of (6aS)-2-butyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one?
The InChIKey is KLKRWKBCVCCBFS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-3-4-12-7-9-5-11(13)6-10(9)8-12/h5,10H,2-4,6-8H2,1H3/t10-/m1/s1.
What are the key properties of (6aS)-2-butyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one?
(6aS)-2-butyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one has a molecular weight of 179.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-2-butyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one is sourced from PubChem (CID 68559403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).