1-(2-methylpropyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[b]pyridin-2-one

C12H19NO — CID 10081317

IUPAC1-(2-methylpropyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[b]pyridin-2-one
SMILESCC(C)CN1C(=O)CCC2CCC=C21
InChIInChI=1S/C12H19NO/c1-9(2)8-13-11-5-3-4-10(11)6-7-12(13)14/h5,9-10H,3-4,6-8H2,1-2H3
InChIKeyQVKHZJWXLTYJNZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.56
Rot. Bonds2

About 1-(2-methylpropyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[b]pyridin-2-one

1-(2-methylpropyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[b]pyridin-2-one (PubChem CID 10081317) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[b]pyridin-2-one
PubChem CID10081317
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(2-methylpropyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[b]pyridin-2-one
SMILESCC(C)CN1C(=O)CCC2CCC=C21
InChIInChI=1S/C12H19NO/c1-9(2)8-13-11-5-3-4-10(11)6-7-12(13)14/h5,9-10H,3-4,6-8H2,1-2H3
InChIKeyQVKHZJWXLTYJNZ-UHFFFAOYSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]propanamide
CID 110196560
2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 39969447
N-[[(4aS)-1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methylbutanamide
CID 164642934
1-But-3-enyl-3a-methyl-3,4,5,6-tetrahydroindol-2-one
CID 85960543
7,7-Dimethyl-2,3,6,8-tetrahydroindolizin-5-one
CID 132539025
4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one
CID 143465428
1-(3,7-Dimethyl-6-octenoyl)piperidine
CID 10977478
1-Heptyl-3,3a,4,5-tetrahydroindole-2,6-dione
CID 101841397
1-methyl-3a,4,5,6-tetrahydro-3H-indol-2-one
CID 10749362
(4aS)-1,4a-dimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one
CID 14414784
1,3-Di(cyclopenta-1,3-dien-1-yl)piperidin-2-one
CID 22486730
1-Pentyl-3,4,4a,5-tetrahydroquinolin-2-one
CID 67625949

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 1-(2-methylpropyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[b]pyridin-2-one (CID 10081317) is 1-(2-methylpropyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[b]pyridin-2-one is CC(C)CN1C(=O)CCC2CCC=C21.
What is the InChIKey of 1-(2-methylpropyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[b]pyridin-2-one?
The InChIKey is QVKHZJWXLTYJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)8-13-11-5-3-4-10(11)6-7-12(13)14/h5,9-10H,3-4,6-8H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[b]pyridin-2-one?
1-(2-methylpropyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[b]pyridin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 10081317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).