ethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one

C14H27NO — CID 162255523

IUPACethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one
SMILESCC.CC1CCC(CN2CCCC2=O)CC1
InChIInChI=1S/C12H21NO.C2H6/c1-10-4-6-11(7-5-10)9-13-8-2-3-12(13)14;1-2/h10-11H,2-9H2,1H3;1-2H3
InChIKeyZYNUEIKYMZOCPC-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.46
Rot. Bonds2

About ethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one

ethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one (PubChem CID 162255523) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is ethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Nameethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one
PubChem CID162255523
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Nameethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one
SMILESCC.CC1CCC(CN2CCCC2=O)CC1
InChIInChI=1S/C12H21NO.C2H6/c1-10-4-6-11(7-5-10)9-13-8-2-3-12(13)14;1-2/h10-11H,2-9H2,1H3;1-2H3
InChIKeyZYNUEIKYMZOCPC-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 59776829
1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride
CID 155973196
1-[(6-methylpiperidin-3-yl)methyl]piperidin-2-one
CID 63008530
1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]piperidin-2-one
CID 111496581
1-[(4-methylcyclohexyl)methyl]imidazolidin-2-one
CID 115370654
(3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one
CID 163890114
1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 54865939
1-[2-(4-methylcyclohexyl)ethyl]piperidine-2,4-dione
CID 79517754
1-[(2-methylpiperidin-3-yl)methyl]pyrrolidin-2-one
CID 130600593
1-[(3-methylcyclopentyl)methyl]pyrrolidin-2-imine
CID 107413702
1-cyclopentyl-4-(cyclopropylmethyl)-1,4-diazepan-5-one
CID 26344581
1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119931911

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one?
The IUPAC name of ethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one (CID 162255523) is ethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for ethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one?
The canonical SMILES for ethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one is CC.CC1CCC(CN2CCCC2=O)CC1.
What is the InChIKey of ethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one?
The InChIKey is ZYNUEIKYMZOCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO.C2H6/c1-10-4-6-11(7-5-10)9-13-8-2-3-12(13)14;1-2/h10-11H,2-9H2,1H3;1-2H3.
What are the key properties of ethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one?
ethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one has a molecular weight of 225.38 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 162255523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).