N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide

C9H15NO2 — CID 23793660

IUPACN-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCO)C1CC=CCC1
InChIInChI=1S/C9H15NO2/c11-7-6-10-9(12)8-4-2-1-3-5-8/h1-2,8,11H,3-7H2,(H,10,12)
InChIKeyQYPPFNANQANGOX-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.45
Rot. Bonds3

About N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide

N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide (PubChem CID 23793660) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide
PubChem CID23793660
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCO)C1CC=CCC1
InChIInChI=1S/C9H15NO2/c11-7-6-10-9(12)8-4-2-1-3-5-8/h1-2,8,11H,3-7H2,(H,10,12)
InChIKeyQYPPFNANQANGOX-UHFFFAOYSA-N
XLogP0.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide (CID 23793660) is N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide is O=C(NCCO)C1CC=CCC1.
What is the InChIKey of N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is QYPPFNANQANGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-7-6-10-9(12)8-4-2-1-3-5-8/h1-2,8,11H,3-7H2,(H,10,12).
What are the key properties of N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide?
N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 169.22 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 23793660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).