1-[(1-aminocyclohexyl)methyl]pyrrolidin-2-one

C11H20N2O — CID 130597936

IUPAC1-[(1-aminocyclohexyl)methyl]pyrrolidin-2-one
SMILESNC1(CN2CCCC2=O)CCCCC1
InChIInChI=1S/C11H20N2O/c12-11(6-2-1-3-7-11)9-13-8-4-5-10(13)14/h1-9,12H2
InChIKeyYTXBKESHUWONJX-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.27
Rot. Bonds2

About 1-[(1-aminocyclohexyl)methyl]pyrrolidin-2-one

1-[(1-aminocyclohexyl)methyl]pyrrolidin-2-one (PubChem CID 130597936) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[(1-aminocyclohexyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1-aminocyclohexyl)methyl]pyrrolidin-2-one
PubChem CID130597936
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[(1-aminocyclohexyl)methyl]pyrrolidin-2-one
SMILESNC1(CN2CCCC2=O)CCCCC1
InChIInChI=1S/C11H20N2O/c12-11(6-2-1-3-7-11)9-13-8-4-5-10(13)14/h1-9,12H2
InChIKeyYTXBKESHUWONJX-UHFFFAOYSA-N
XLogP1.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(bromomethyl)cyclohexyl]methyl]pyrrolidin-2-one
CID 65002084
1-[[1-(bromomethyl)cyclohexyl]methyl]azocan-2-one
CID 65001879
1-[[1-(bromomethyl)cyclohexyl]methyl]piperidin-2-one
CID 65002190
1-[[1-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidin-2-one
CID 153475033
1-[(2-oxopyrrolidin-1-yl)methoxymethyl]pyrrolidin-2-one
CID 56986505
1-ethylpyrrolidin-2-one;hydrazine
CID 159147234
1-[(4-cyclohexylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 21018603
1-[(2-oxoazepan-1-yl)methyl]azepan-2-one
CID 11746692
1-(fluoromethyl)pyrrolidin-2-one;dihydrochloride
CID 141325975
1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]azocan-2-one;hydrochloride
CID 120856030
1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270408
N-[1-(aminomethyl)cyclopentyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 63889573

Frequently Asked Questions

What is the IUPAC name of 1-[(1-aminocyclohexyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(1-aminocyclohexyl)methyl]pyrrolidin-2-one (CID 130597936) is 1-[(1-aminocyclohexyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(1-aminocyclohexyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(1-aminocyclohexyl)methyl]pyrrolidin-2-one is NC1(CN2CCCC2=O)CCCCC1.
What is the InChIKey of 1-[(1-aminocyclohexyl)methyl]pyrrolidin-2-one?
The InChIKey is YTXBKESHUWONJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c12-11(6-2-1-3-7-11)9-13-8-4-5-10(13)14/h1-9,12H2.
What are the key properties of 1-[(1-aminocyclohexyl)methyl]pyrrolidin-2-one?
1-[(1-aminocyclohexyl)methyl]pyrrolidin-2-one has a molecular weight of 196.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-aminocyclohexyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 130597936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).