2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one

C14H25NO — CID 155351261

IUPAC2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one
SMILESCC(C)N1CCC2CCCCCCC2C1=O
InChIInChI=1S/C14H25NO/c1-11(2)15-10-9-12-7-5-3-4-6-8-13(12)14(15)16/h11-13H,3-10H2,1-2H3
InChIKeyVBQXUCXYNKCKHP-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.21
Rot. Bonds1

About 2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one

2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one (PubChem CID 155351261) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one.

Molecular Properties

Compound Name2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one
PubChem CID155351261
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one
SMILESCC(C)N1CCC2CCCCCCC2C1=O
InChIInChI=1S/C14H25NO/c1-11(2)15-10-9-12-7-5-3-4-6-8-13(12)14(15)16/h11-13H,3-10H2,1-2H3
InChIKeyVBQXUCXYNKCKHP-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one with MolForge

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Related Compounds

(3S)-3-piperidin-4-yl-1-propan-2-ylazepan-2-one
CID 95804137
3-fluoro-1-propan-2-ylpyrrolidin-2-one
CID 45088052
1,3-di(propan-2-yl)pyrrolidin-2-one;methane
CID 158114726
(3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 96680803
3-amino-1-propan-2-ylazepan-2-one
CID 45096497
3-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one
CID 67806097
(3S)-3-methyl-1-propan-2-ylpiperidin-2-one
CID 129101270
3-(methylamino)-1-propan-2-ylazepan-2-one
CID 22984869
(3S)-3-bromo-1-propan-2-ylpiperidin-2-one
CID 95354937
1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidin-2-one
CID 67806115
(3S)-3-ethynyl-1-propan-2-ylpyrrolidin-2-one
CID 175616030
trans-(2S,6S)-2,6-dicyclohexylcyclohexan-1-one
CID 36691423

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one?
The IUPAC name of 2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one (CID 155351261) is 2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one.
What is the SMILES notation for 2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one?
The canonical SMILES for 2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one is CC(C)N1CCC2CCCCCCC2C1=O.
What is the InChIKey of 2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one?
The InChIKey is VBQXUCXYNKCKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)15-10-9-12-7-5-3-4-6-8-13(12)14(15)16/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one?
2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one is sourced from PubChem (CID 155351261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).