4-amino-N-(3-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide

C12H20N2O2 — CID 79210608

IUPAC4-amino-N-(3-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NC2CCCC(O)C2)C1
InChIInChI=1S/C12H20N2O2/c13-9-5-4-8(6-9)12(16)14-10-2-1-3-11(15)7-10/h4-5,8-11,15H,1-3,6-7,13H2,(H,14,16)
InChIKeyZXKXGWWCRBWMDE-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.31
Rot. Bonds2

About 4-amino-N-(3-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(3-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79210608) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-amino-N-(3-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide
PubChem CID79210608
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-amino-N-(3-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NC2CCCC(O)C2)C1
InChIInChI=1S/C12H20N2O2/c13-9-5-4-8(6-9)12(16)14-10-2-1-3-11(15)7-10/h4-5,8-11,15H,1-3,6-7,13H2,(H,14,16)
InChIKeyZXKXGWWCRBWMDE-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-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide
CID 79207326
4-amino-N-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide
CID 79207695
4-amino-N-(3-ethylsulfanylcyclopentyl)cyclopent-2-ene-1-carboxamide
CID 114123155
N-(3-hydroxycyclohexyl)cyclohex-3-ene-1-carboxamide
CID 71786222
4-amino-N-(2-methylsulfanylcyclohexyl)cyclopent-2-ene-1-carboxamide
CID 114122950
4-amino-N-(1-methylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide
CID 79211011
2-[(3-hydroxycyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978293
N-[(1R,3S)-3-hydroxycyclohexyl]acetamide
CID 121286290
N-[(1R,3R)-3-hydroxycyclohexyl]acetamide
CID 130005028
4-amino-N-[(1S)-1-cyclopentylethyl]cyclopent-2-ene-1-carboxamide
CID 81390649
N-(3-hydroxycyclohexyl)pyrrolidine-2-carboxamide
CID 43696094
[(1R,3R)-3-hydroxycycloheptyl]carbamic acid
CID 89396193

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(3-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide (CID 79210608) is 4-amino-N-(3-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(3-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)NC2CCCC(O)C2)C1.
What is the InChIKey of 4-amino-N-(3-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is ZXKXGWWCRBWMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c13-9-5-4-8(6-9)12(16)14-10-2-1-3-11(15)7-10/h4-5,8-11,15H,1-3,6-7,13H2,(H,14,16).
What are the key properties of 4-amino-N-(3-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(3-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-(3-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).