1-[4-(1-hydroxypropyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-2-one

C13H19NO2 — CID 71134506

IUPAC1-[4-(1-hydroxypropyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-2-one
SMILESCCC(O)C1=CC=C(N2CCCC2=O)CC1
InChIInChI=1S/C13H19NO2/c1-2-12(15)10-5-7-11(8-6-10)14-9-3-4-13(14)16/h5,7,12,15H,2-4,6,8-9H2,1H3
InChIKeyMEVDLEKQPJQEPF-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.98
Rot. Bonds3

About 1-[4-(1-hydroxypropyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-2-one

1-[4-(1-hydroxypropyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-2-one (PubChem CID 71134506) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[4-(1-hydroxypropyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(1-hydroxypropyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-2-one
PubChem CID71134506
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[4-(1-hydroxypropyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-2-one
SMILESCCC(O)C1=CC=C(N2CCCC2=O)CC1
InChIInChI=1S/C13H19NO2/c1-2-12(15)10-5-7-11(8-6-10)14-9-3-4-13(14)16/h5,7,12,15H,2-4,6,8-9H2,1H3
InChIKeyMEVDLEKQPJQEPF-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropen-1-yl)pyrrolidin-2-one
CID 147715562
1-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one
CID 15965706
1-[4-[(1R)-1-aminopropyl]phenyl]pyrrolidin-2-one
CID 79015875
1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one
CID 43161134
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
1-(1-aminobutan-2-yl)pyrrolidin-2-one
CID 15788316
1-[(3R)-hexan-3-yl]pyrrolidin-2-one
CID 142812030
2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24622415
1-(4-pentan-3-ylphenyl)piperidin-2-one;propane
CID 169104923
1-[4-(hexan-3-ylamino)phenyl]pyrrolidin-2-one
CID 103930966
3-butan-2-yloxy-5-(2-oxopyrrolidin-1-yl)benzoic acid
CID 22253006

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxypropyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(1-hydroxypropyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-2-one (CID 71134506) is 1-[4-(1-hydroxypropyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(1-hydroxypropyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(1-hydroxypropyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-2-one is CCC(O)C1=CC=C(N2CCCC2=O)CC1.
What is the InChIKey of 1-[4-(1-hydroxypropyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-2-one?
The InChIKey is MEVDLEKQPJQEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-12(15)10-5-7-11(8-6-10)14-9-3-4-13(14)16/h5,7,12,15H,2-4,6,8-9H2,1H3.
What are the key properties of 1-[4-(1-hydroxypropyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-2-one?
1-[4-(1-hydroxypropyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxypropyl)cyclohexa-1,3-dien-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 71134506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).