4-[(3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide

C12H18N2O2 — CID 104788326

IUPAC4-[(3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC2=CC(=O)CC2)CC1
InChIInChI=1S/C12H18N2O2/c13-12(16)8-1-3-9(4-2-8)14-10-5-6-11(15)7-10/h7-9,14H,1-6H2,(H2,13,16)
InChIKeySVDJXFWEZGDLTN-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.87
Rot. Bonds3

About 4-[(3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide

4-[(3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide (PubChem CID 104788326) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[(3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide
PubChem CID104788326
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-[(3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC2=CC(=O)CC2)CC1
InChIInChI=1S/C12H18N2O2/c13-12(16)8-1-3-9(4-2-8)14-10-5-6-11(15)7-10/h7-9,14H,1-6H2,(H2,13,16)
InChIKeySVDJXFWEZGDLTN-UHFFFAOYSA-N
XLogP0.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-[(2-methyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide
CID 121470823
N-methyl-4-[(2-methyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide
CID 121470826
N-cyclohexyl-4-[(2-ethenyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide
CID 158644393
4-[(4-Aminocyclopent-2-ene-1-carbonyl)amino]cyclohexane-1-carboxamide
CID 79211331
N-(4-carbamoylcyclohexyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717965
3-[(4-Methylcyclohexyl)amino]cyclopent-2-en-1-one
CID 104788218
3-(Cyclohexylmethylamino)cyclopent-2-en-1-one
CID 104788239
3-[(4-Ethylcyclohexyl)amino]cyclopent-2-en-1-one
CID 104788374
3-[(4-Propylcyclohexyl)amino]cyclopent-2-en-1-one
CID 104788401

Frequently Asked Questions

What is the IUPAC name of 4-[(3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide (CID 104788326) is 4-[(3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide is NC(=O)C1CCC(NC2=CC(=O)CC2)CC1.
What is the InChIKey of 4-[(3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is SVDJXFWEZGDLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-12(16)8-1-3-9(4-2-8)14-10-5-6-11(15)7-10/h7-9,14H,1-6H2,(H2,13,16).
What are the key properties of 4-[(3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide?
4-[(3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 104788326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).