3-[(4-hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one

C12H22N2O2 — CID 106133454

IUPAC3-[(4-hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(NCC2CCC(O)CC2)C1=O
InChIInChI=1S/C12H22N2O2/c1-14-7-6-11(12(14)16)13-8-9-2-4-10(15)5-3-9/h9-11,13,15H,2-8H2,1H3
InChIKeyWISQXKCUUDBILW-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.36
Rot. Bonds3

About 3-[(4-hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one

3-[(4-hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one (PubChem CID 106133454) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[(4-hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(4-hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one
PubChem CID106133454
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-[(4-hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(NCC2CCC(O)CC2)C1=O
InChIInChI=1S/C12H22N2O2/c1-14-7-6-11(12(14)16)13-8-9-2-4-10(15)5-3-9/h9-11,13,15H,2-8H2,1H3
InChIKeyWISQXKCUUDBILW-UHFFFAOYSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-hydroxycyclohexyl)propyl]-1-methylpyrrolidine-2-carboxamide
CID 102553487
N-[(2S)-2-(dimethylamino)pentyl]-4-hydroxycyclohexane-1-carboxamide
CID 129617577
2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106133035
(2S,4S)-4-amino-N-isopropyl-1-[(4-methoxycyclohexyl)carbonyl]pyrrolidine-2-carboxamide
CID 56714173
(4R)-4-amino-N,N-diethyl-1-[(cis-4-hydroxycyclohexyl)carbonyl]-L-prolinamide
CID 56757275
2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]-N-methylacetamide
CID 19845967
4-hydroxy-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 54159322
2-[2-[[(4-Hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]propanamide
CID 57319906
(2S)-2-(4-hydroxycyclohexyl)-2-(methylamino)-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone
CID 60041924
[(1S)-1-(4-hydroxycyclohexyl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamic acid
CID 68517149
4-hydroxy-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 91589502
4-amino-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 123171011

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(4-hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one (CID 106133454) is 3-[(4-hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(4-hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(4-hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one is CN1CCC(NCC2CCC(O)CC2)C1=O.
What is the InChIKey of 3-[(4-hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one?
The InChIKey is WISQXKCUUDBILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-14-7-6-11(12(14)16)13-8-9-2-4-10(15)5-3-9/h9-11,13,15H,2-8H2,1H3.
What are the key properties of 3-[(4-hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one?
3-[(4-hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106133454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).