1-[2-[1-(4-methylcyclohexa-1,5-dien-1-yl)cyclopentyl]ethyl]pyridin-2-one

C19H25NO — CID 67560900

IUPAC1-[2-[1-(4-methylcyclohexa-1,5-dien-1-yl)cyclopentyl]ethyl]pyridin-2-one
SMILESCC1C=CC(C2(CCn3ccccc3=O)CCCC2)=CC1
InChIInChI=1S/C19H25NO/c1-16-7-9-17(10-8-16)19(11-3-4-12-19)13-15-20-14-5-2-6-18(20)21/h2,5-7,9-10,14,16H,3-4,8,11-13,15H2,1H3
InChIKeySDWHRZFOIQSNTM-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.32
Rot. Bonds4

About 1-[2-[1-(4-methylcyclohexa-1,5-dien-1-yl)cyclopentyl]ethyl]pyridin-2-one

1-[2-[1-(4-methylcyclohexa-1,5-dien-1-yl)cyclopentyl]ethyl]pyridin-2-one (PubChem CID 67560900) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[2-[1-(4-methylcyclohexa-1,5-dien-1-yl)cyclopentyl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[1-(4-methylcyclohexa-1,5-dien-1-yl)cyclopentyl]ethyl]pyridin-2-one
PubChem CID67560900
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-[2-[1-(4-methylcyclohexa-1,5-dien-1-yl)cyclopentyl]ethyl]pyridin-2-one
SMILESCC1C=CC(C2(CCn3ccccc3=O)CCCC2)=CC1
InChIInChI=1S/C19H25NO/c1-16-7-9-17(10-8-16)19(11-3-4-12-19)13-15-20-14-5-2-6-18(20)21/h2,5-7,9-10,14,16H,3-4,8,11-13,15H2,1H3
InChIKeySDWHRZFOIQSNTM-UHFFFAOYSA-N
XLogP4.32
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-methylcyclohexa-1,5-dien-1-yl)cyclopentyl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[1-(4-methylcyclohexa-1,5-dien-1-yl)cyclopentyl]ethyl]pyridin-2-one (CID 67560900) is 1-[2-[1-(4-methylcyclohexa-1,5-dien-1-yl)cyclopentyl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[1-(4-methylcyclohexa-1,5-dien-1-yl)cyclopentyl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[1-(4-methylcyclohexa-1,5-dien-1-yl)cyclopentyl]ethyl]pyridin-2-one is CC1C=CC(C2(CCn3ccccc3=O)CCCC2)=CC1.
What is the InChIKey of 1-[2-[1-(4-methylcyclohexa-1,5-dien-1-yl)cyclopentyl]ethyl]pyridin-2-one?
The InChIKey is SDWHRZFOIQSNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-16-7-9-17(10-8-16)19(11-3-4-12-19)13-15-20-14-5-2-6-18(20)21/h2,5-7,9-10,14,16H,3-4,8,11-13,15H2,1H3.
What are the key properties of 1-[2-[1-(4-methylcyclohexa-1,5-dien-1-yl)cyclopentyl]ethyl]pyridin-2-one?
1-[2-[1-(4-methylcyclohexa-1,5-dien-1-yl)cyclopentyl]ethyl]pyridin-2-one has a molecular weight of 283.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-methylcyclohexa-1,5-dien-1-yl)cyclopentyl]ethyl]pyridin-2-one is sourced from PubChem (CID 67560900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).