prop-2-enyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride

C11H20ClNO2 — CID 69033800

IUPACprop-2-enyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride
SMILESC=CCOC(=O)C1CCC(CN)CC1.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-2-7-14-11(13)10-5-3-9(8-12)4-6-10;/h2,9-10H,1,3-8,12H2;1H
InChIKeyFUTVZACRQWMCTR-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.90
Rot. Bonds4

About prop-2-enyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride

prop-2-enyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride (PubChem CID 69033800) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is prop-2-enyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameprop-2-enyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride
PubChem CID69033800
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Nameprop-2-enyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride
SMILESC=CCOC(=O)C1CCC(CN)CC1.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-2-7-14-11(13)10-5-3-9(8-12)4-6-10;/h2,9-10H,1,3-8,12H2;1H
InChIKeyFUTVZACRQWMCTR-UHFFFAOYSA-N
XLogP1.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze prop-2-enyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride 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 prop-2-enyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride?
The IUPAC name of prop-2-enyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride (CID 69033800) is prop-2-enyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride.
What is the SMILES notation for prop-2-enyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride?
The canonical SMILES for prop-2-enyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride is C=CCOC(=O)C1CCC(CN)CC1.Cl.
What is the InChIKey of prop-2-enyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride?
The InChIKey is FUTVZACRQWMCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.ClH/c1-2-7-14-11(13)10-5-3-9(8-12)4-6-10;/h2,9-10H,1,3-8,12H2;1H.
What are the key properties of prop-2-enyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride?
prop-2-enyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 69033800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).