2-[1-(2-cyclopropylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one

C16H25NO2 — CID 80710970

IUPAC2-[1-(2-cyclopropylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESCC(C(=O)N1CCCC1C1CCCCC1=O)C1CC1
InChIInChI=1S/C16H25NO2/c1-11(12-8-9-12)16(19)17-10-4-6-14(17)13-5-2-3-7-15(13)18/h11-14H,2-10H2,1H3
InChIKeyBGMSDOSGNLCZNG-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.78
Rot. Bonds3

About 2-[1-(2-cyclopropylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one

2-[1-(2-cyclopropylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 80710970) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[1-(2-cyclopropylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(2-cyclopropylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID80710970
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[1-(2-cyclopropylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESCC(C(=O)N1CCCC1C1CCCCC1=O)C1CC1
InChIInChI=1S/C16H25NO2/c1-11(12-8-9-12)16(19)17-10-4-6-14(17)13-5-2-3-7-15(13)18/h11-14H,2-10H2,1H3
InChIKeyBGMSDOSGNLCZNG-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-methoxypropanoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 115870238
2-methylpropyl 2-(2-oxocyclohexyl)pyrrolidine-1-carboxylate
CID 79545937
N,N-dimethyl-2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide
CID 79544614
2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79546344
N-ethyl-N-methyl-2-(2-oxocyclohexyl)piperidine-1-carboxamide
CID 79553640
2-cyclopropyl-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one
CID 83148685
2-(2-oxocyclohexyl)-N-propylpyrrolidine-1-carboxamide
CID 79546432
2-[1-(2,2-dimethylbutanoyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79546679
2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide
CID 79544313
2-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79539486
2-methylpropyl 2-(2-oxocyclopentyl)piperidine-1-carboxylate
CID 79544850
2-(1-octanoylpyrrolidin-2-yl)cyclohexan-1-one
CID 79539477

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopropylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(2-cyclopropylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one (CID 80710970) is 2-[1-(2-cyclopropylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(2-cyclopropylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(2-cyclopropylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one is CC(C(=O)N1CCCC1C1CCCCC1=O)C1CC1.
What is the InChIKey of 2-[1-(2-cyclopropylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is BGMSDOSGNLCZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(12-8-9-12)16(19)17-10-4-6-14(17)13-5-2-3-7-15(13)18/h11-14H,2-10H2,1H3.
What are the key properties of 2-[1-(2-cyclopropylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-(2-cyclopropylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 263.38 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopropylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 80710970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).