N-(3-hydroxycyclohexyl)cyclohex-3-ene-1-carboxamide

C13H21NO2 — CID 71786222

IUPACN-(3-hydroxycyclohexyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1CCCC(O)C1)C1CC=CCC1
InChIInChI=1S/C13H21NO2/c15-12-8-4-7-11(9-12)14-13(16)10-5-2-1-3-6-10/h1-2,10-12,15H,3-9H2,(H,14,16)
InChIKeyZGNRRQWOBLFXDC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.76
Rot. Bonds2

About N-(3-hydroxycyclohexyl)cyclohex-3-ene-1-carboxamide

N-(3-hydroxycyclohexyl)cyclohex-3-ene-1-carboxamide (PubChem CID 71786222) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(3-hydroxycyclohexyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxycyclohexyl)cyclohex-3-ene-1-carboxamide
PubChem CID71786222
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(3-hydroxycyclohexyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1CCCC(O)C1)C1CC=CCC1
InChIInChI=1S/C13H21NO2/c15-12-8-4-7-11(9-12)14-13(16)10-5-2-1-3-6-10/h1-2,10-12,15H,3-9H2,(H,14,16)
InChIKeyZGNRRQWOBLFXDC-UHFFFAOYSA-N
XLogP1.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320857
(1S)-N-[(1S,2R)-2-methylcyclohexyl]cyclohex-3-ene-1-carboxamide
CID 100842555
4-amino-N-(3-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide
CID 79210608
(1R)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
CID 51983299
(1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
CID 51983300
[(1R,3R)-3-hydroxycycloheptyl]carbamic acid
CID 89396193
N-[(1R,2R)-2-hydroxycyclohexyl]cyclopent-3-ene-1-carboxamide
CID 104927999
2-[(3-hydroxycyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978293
N-(1-propan-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
CID 42891784
N-[(1R,3S)-3-hydroxycyclohexyl]acetamide
CID 121286290
N-[(1R,3R)-3-hydroxycyclohexyl]acetamide
CID 130005028
N-cyclopentylcyclobutanecarboxamide
CID 21158774

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxycyclohexyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(3-hydroxycyclohexyl)cyclohex-3-ene-1-carboxamide (CID 71786222) is N-(3-hydroxycyclohexyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(3-hydroxycyclohexyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(3-hydroxycyclohexyl)cyclohex-3-ene-1-carboxamide is O=C(NC1CCCC(O)C1)C1CC=CCC1.
What is the InChIKey of N-(3-hydroxycyclohexyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is ZGNRRQWOBLFXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-12-8-4-7-11(9-12)14-13(16)10-5-2-1-3-6-10/h1-2,10-12,15H,3-9H2,(H,14,16).
What are the key properties of N-(3-hydroxycyclohexyl)cyclohex-3-ene-1-carboxamide?
N-(3-hydroxycyclohexyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxycyclohexyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71786222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).