ethane;5-(4-ethylcyclohexyl)-4-methylidenepyrrolidin-2-one

C15H27NO — CID 143588267

IUPACethane;5-(4-ethylcyclohexyl)-4-methylidenepyrrolidin-2-one
SMILESC=C1CC(=O)NC1C1CCC(CC)CC1.CC
InChIInChI=1S/C13H21NO.C2H6/c1-3-10-4-6-11(7-5-10)13-9(2)8-12(15)14-13;1-2/h10-11,13H,2-8H2,1H3,(H,14,15);1-2H3
InChIKeyDQGXZYPXNXUFTH-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.67
Rot. Bonds2

About ethane;5-(4-ethylcyclohexyl)-4-methylidenepyrrolidin-2-one

ethane;5-(4-ethylcyclohexyl)-4-methylidenepyrrolidin-2-one (PubChem CID 143588267) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;5-(4-ethylcyclohexyl)-4-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Nameethane;5-(4-ethylcyclohexyl)-4-methylidenepyrrolidin-2-one
PubChem CID143588267
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Nameethane;5-(4-ethylcyclohexyl)-4-methylidenepyrrolidin-2-one
SMILESC=C1CC(=O)NC1C1CCC(CC)CC1.CC
InChIInChI=1S/C13H21NO.C2H6/c1-3-10-4-6-11(7-5-10)13-9(2)8-12(15)14-13;1-2/h10-11,13H,2-8H2,1H3,(H,14,15);1-2H3
InChIKeyDQGXZYPXNXUFTH-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-(4-ethylcyclohexyl)piperidin-2-one
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4-(4-ethylcyclohexyl)piperidine
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CID 19850420
7-ethyl-1-azaspiro[3.5]nonan-2-one
CID 64665361
ethane;ethene;ethylcyclobutane
CID 164586585
4-(4-ethylcyclohexyl)cyclohexane-1-carbaldehyde
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CID 58163441

Frequently Asked Questions

What is the IUPAC name of ethane;5-(4-ethylcyclohexyl)-4-methylidenepyrrolidin-2-one?
The IUPAC name of ethane;5-(4-ethylcyclohexyl)-4-methylidenepyrrolidin-2-one (CID 143588267) is ethane;5-(4-ethylcyclohexyl)-4-methylidenepyrrolidin-2-one.
What is the SMILES notation for ethane;5-(4-ethylcyclohexyl)-4-methylidenepyrrolidin-2-one?
The canonical SMILES for ethane;5-(4-ethylcyclohexyl)-4-methylidenepyrrolidin-2-one is C=C1CC(=O)NC1C1CCC(CC)CC1.CC.
What is the InChIKey of ethane;5-(4-ethylcyclohexyl)-4-methylidenepyrrolidin-2-one?
The InChIKey is DQGXZYPXNXUFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO.C2H6/c1-3-10-4-6-11(7-5-10)13-9(2)8-12(15)14-13;1-2/h10-11,13H,2-8H2,1H3,(H,14,15);1-2H3.
What are the key properties of ethane;5-(4-ethylcyclohexyl)-4-methylidenepyrrolidin-2-one?
ethane;5-(4-ethylcyclohexyl)-4-methylidenepyrrolidin-2-one has a molecular weight of 237.39 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(4-ethylcyclohexyl)-4-methylidenepyrrolidin-2-one is sourced from PubChem (CID 143588267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).