1-[[1-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidin-2-one

C15H25NO2 — CID 153475033

IUPAC1-[[1-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidin-2-one
SMILESCC(C)C(=O)C1(CN2CCCC2=O)CCCCC1
InChIInChI=1S/C15H25NO2/c1-12(2)14(18)15(8-4-3-5-9-15)11-16-10-6-7-13(16)17/h12H,3-11H2,1-2H3
InChIKeyISKVFYKDFCCKCH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.78
Rot. Bonds4

About 1-[[1-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidin-2-one

1-[[1-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidin-2-one (PubChem CID 153475033) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[[1-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidin-2-one
PubChem CID153475033
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[[1-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidin-2-one
SMILESCC(C)C(=O)C1(CN2CCCC2=O)CCCCC1
InChIInChI=1S/C15H25NO2/c1-12(2)14(18)15(8-4-3-5-9-15)11-16-10-6-7-13(16)17/h12H,3-11H2,1-2H3
InChIKeyISKVFYKDFCCKCH-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-aminocyclohexyl)methyl]pyrrolidin-2-one
CID 130597936
1-[[1-(bromomethyl)cyclohexyl]methyl]pyrrolidin-2-one
CID 65002084
2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one
CID 58210371
1-[[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362099
3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid
CID 65220431
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
1-[[1-(bromomethyl)cyclohexyl]methyl]azocan-2-one
CID 65001879
1-[[1-(bromomethyl)cyclohexyl]methyl]piperidin-2-one
CID 65002190
1-(chloromethyl)azonan-2-one
CID 23348579
2-methyl-N-[(2R)-3-methyl-1-(2-oxopyrrolidin-1-yl)butan-2-yl]propanamide
CID 176871269
2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 3050861
1-[(methyldisulfanyl)methyl]pyrrolidin-2-one
CID 166715430

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidin-2-one (CID 153475033) is 1-[[1-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidin-2-one is CC(C)C(=O)C1(CN2CCCC2=O)CCCCC1.
What is the InChIKey of 1-[[1-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidin-2-one?
The InChIKey is ISKVFYKDFCCKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)14(18)15(8-4-3-5-9-15)11-16-10-6-7-13(16)17/h12H,3-11H2,1-2H3.
What are the key properties of 1-[[1-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidin-2-one?
1-[[1-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidin-2-one has a molecular weight of 251.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 153475033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).