(4R)-N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide

C12H19NO2 — CID 91346857

IUPAC(4R)-N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide
SMILESC=C(C)[C@H]1CC=C(C(=O)NCCO)CC1
InChIInChI=1S/C12H19NO2/c1-9(2)10-3-5-11(6-4-10)12(15)13-7-8-14/h5,10,14H,1,3-4,6-8H2,2H3,(H,13,15)/t10-/m0/s1
InChIKeyLSOXKHCFZCAJEP-JTQLQIEISA-N
MW209.29 g/mol
LogP1.40
Rot. Bonds4

About (4R)-N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide

(4R)-N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide (PubChem CID 91346857) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (4R)-N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide.

Molecular Properties

Compound Name(4R)-N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide
PubChem CID91346857
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(4R)-N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide
SMILESC=C(C)[C@H]1CC=C(C(=O)NCCO)CC1
InChIInChI=1S/C12H19NO2/c1-9(2)10-3-5-11(6-4-10)12(15)13-7-8-14/h5,10,14H,1,3-4,6-8H2,2H3,(H,13,15)/t10-/m0/s1
InChIKeyLSOXKHCFZCAJEP-JTQLQIEISA-N
XLogP1.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide?
The IUPAC name of (4R)-N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide (CID 91346857) is (4R)-N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide.
What is the SMILES notation for (4R)-N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide?
The canonical SMILES for (4R)-N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide is C=C(C)[C@H]1CC=C(C(=O)NCCO)CC1.
What is the InChIKey of (4R)-N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide?
The InChIKey is LSOXKHCFZCAJEP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(2)10-3-5-11(6-4-10)12(15)13-7-8-14/h5,10,14H,1,3-4,6-8H2,2H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (4R)-N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide?
(4R)-N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide is sourced from PubChem (CID 91346857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).