ethane;1-(4-methylidenecyclohexyl)pyrrolidin-2-one

C13H23NO — CID 123551438

IUPACethane;1-(4-methylidenecyclohexyl)pyrrolidin-2-one
SMILESC=C1CCC(N2CCCC2=O)CC1.CC
InChIInChI=1S/C11H17NO.C2H6/c1-9-4-6-10(7-5-9)12-8-2-3-11(12)13;1-2/h10H,1-8H2;1-2H3
InChIKeyLMFJHAFIVLJIOB-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.13
Rot. Bonds1

About ethane;1-(4-methylidenecyclohexyl)pyrrolidin-2-one

ethane;1-(4-methylidenecyclohexyl)pyrrolidin-2-one (PubChem CID 123551438) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is ethane;1-(4-methylidenecyclohexyl)pyrrolidin-2-one.

Molecular Properties

Compound Nameethane;1-(4-methylidenecyclohexyl)pyrrolidin-2-one
PubChem CID123551438
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Nameethane;1-(4-methylidenecyclohexyl)pyrrolidin-2-one
SMILESC=C1CCC(N2CCCC2=O)CC1.CC
InChIInChI=1S/C11H17NO.C2H6/c1-9-4-6-10(7-5-9)12-8-2-3-11(12)13;1-2/h10H,1-8H2;1-2H3
InChIKeyLMFJHAFIVLJIOB-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-(2-methylidenecyclohexylidene)methyl]pyrrolidin-2-one
CID 101851558
1-(Methoxymethyl)-5-(2-methylprop-2-enyl)pyrrolidin-2-one
CID 135010990
1-Cyclohexyl-4-methylidenepyrrolidin-2-one
CID 138969229
1-Cycloheptyl-4-methylidenepyrrolidin-2-one
CID 138969436
1-(Cyclohexylidenemethyl)pyrrolidin-2-one
CID 13790897
1-(5-Methyl-6-methylidenenonan-2-yl)pyrrolidin-2-one
CID 20657016
1-Hex-5-en-2-ylpyrrolidin-2-one
CID 54391525
1-(2,5-Dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one
CID 58032082
1-(4-Methylidenecyclohexyl)pyrrolidin-2-one
CID 58902743
1,5-Dimethyl-4-methylidenepyrrolidin-2-one
CID 59872944
1-(2-Methylpent-1-en-3-yl)pyrrolidin-2-one
CID 60014253
1-Hex-5-en-3-ylpyrrolidin-2-one
CID 66716495

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylidenecyclohexyl)pyrrolidin-2-one?
The IUPAC name of ethane;1-(4-methylidenecyclohexyl)pyrrolidin-2-one (CID 123551438) is ethane;1-(4-methylidenecyclohexyl)pyrrolidin-2-one.
What is the SMILES notation for ethane;1-(4-methylidenecyclohexyl)pyrrolidin-2-one?
The canonical SMILES for ethane;1-(4-methylidenecyclohexyl)pyrrolidin-2-one is C=C1CCC(N2CCCC2=O)CC1.CC.
What is the InChIKey of ethane;1-(4-methylidenecyclohexyl)pyrrolidin-2-one?
The InChIKey is LMFJHAFIVLJIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C2H6/c1-9-4-6-10(7-5-9)12-8-2-3-11(12)13;1-2/h10H,1-8H2;1-2H3.
What are the key properties of ethane;1-(4-methylidenecyclohexyl)pyrrolidin-2-one?
ethane;1-(4-methylidenecyclohexyl)pyrrolidin-2-one has a molecular weight of 209.33 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylidenecyclohexyl)pyrrolidin-2-one is sourced from PubChem (CID 123551438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).