4-amino-N-(2-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide

C12H20N2O2 — CID 79207326

IUPAC4-amino-N-(2-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NC2CCCCC2O)C1
InChIInChI=1S/C12H20N2O2/c13-9-6-5-8(7-9)12(16)14-10-3-1-2-4-11(10)15/h5-6,8-11,15H,1-4,7,13H2,(H,14,16)
InChIKeyNZCWSSMZUHCVGE-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.31
Rot. Bonds2

About 4-amino-N-(2-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(2-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79207326) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide
PubChem CID79207326
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-amino-N-(2-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NC2CCCCC2O)C1
InChIInChI=1S/C12H20N2O2/c13-9-6-5-8(7-9)12(16)14-10-3-1-2-4-11(10)15/h5-6,8-11,15H,1-4,7,13H2,(H,14,16)
InChIKeyNZCWSSMZUHCVGE-UHFFFAOYSA-N
XLogP0.31
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-methylsulfanylcyclohexyl)cyclopent-2-ene-1-carboxamide
CID 114122950
4-amino-N-(3-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide
CID 79210608
3-amino-N-(2-hydroxycyclohexyl)cyclopentane-1-carboxamide
CID 66007557
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cycloheptane-1-carboxamide
CID 107221615
N-[(1S,2S)-2-hydroxycyclooctyl]cyclopropanecarboxamide
CID 146041512
4-amino-N-[(1S)-1-cyclopentylethyl]cyclopent-2-ene-1-carboxamide
CID 81390649
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762408
N-[(1R,2R)-2-hydroxycyclohexyl]cyclopent-3-ene-1-carboxamide
CID 104927999
4-amino-N-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide
CID 79207695
N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-3-carboxamide
CID 102677288
4-amino-N-(1-methylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide
CID 79211011
cis-(1R,3S)-3-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114093239

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide (CID 79207326) is 4-amino-N-(2-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)NC2CCCCC2O)C1.
What is the InChIKey of 4-amino-N-(2-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is NZCWSSMZUHCVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c13-9-6-5-8(7-9)12(16)14-10-3-1-2-4-11(10)15/h5-6,8-11,15H,1-4,7,13H2,(H,14,16).
What are the key properties of 4-amino-N-(2-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(2-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79207326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).