prop-2-enyl N-(4-ethylcyclohexa-2,5-dien-1-yl)carbamate

C12H17NO2 — CID 10921687

IUPACprop-2-enyl N-(4-ethylcyclohexa-2,5-dien-1-yl)carbamate
SMILESC=CCOC(=O)NC1C=CC(CC)C=C1
InChIInChI=1S/C12H17NO2/c1-3-9-15-12(14)13-11-7-5-10(4-2)6-8-11/h3,5-8,10-11H,1,4,9H2,2H3,(H,13,14)
InChIKeyVANCLQPESYADEI-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.42
Rot. Bonds4

About prop-2-enyl N-(4-ethylcyclohexa-2,5-dien-1-yl)carbamate

prop-2-enyl N-(4-ethylcyclohexa-2,5-dien-1-yl)carbamate (PubChem CID 10921687) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is prop-2-enyl N-(4-ethylcyclohexa-2,5-dien-1-yl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(4-ethylcyclohexa-2,5-dien-1-yl)carbamate
PubChem CID10921687
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameprop-2-enyl N-(4-ethylcyclohexa-2,5-dien-1-yl)carbamate
SMILESC=CCOC(=O)NC1C=CC(CC)C=C1
InChIInChI=1S/C12H17NO2/c1-3-9-15-12(14)13-11-7-5-10(4-2)6-8-11/h3,5-8,10-11H,1,4,9H2,2H3,(H,13,14)
InChIKeyVANCLQPESYADEI-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze prop-2-enyl N-(4-ethylcyclohexa-2,5-dien-1-yl)carbamate 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 N-(4-ethylcyclohexa-2,5-dien-1-yl)carbamate?
The IUPAC name of prop-2-enyl N-(4-ethylcyclohexa-2,5-dien-1-yl)carbamate (CID 10921687) is prop-2-enyl N-(4-ethylcyclohexa-2,5-dien-1-yl)carbamate.
What is the SMILES notation for prop-2-enyl N-(4-ethylcyclohexa-2,5-dien-1-yl)carbamate?
The canonical SMILES for prop-2-enyl N-(4-ethylcyclohexa-2,5-dien-1-yl)carbamate is C=CCOC(=O)NC1C=CC(CC)C=C1.
What is the InChIKey of prop-2-enyl N-(4-ethylcyclohexa-2,5-dien-1-yl)carbamate?
The InChIKey is VANCLQPESYADEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-9-15-12(14)13-11-7-5-10(4-2)6-8-11/h3,5-8,10-11H,1,4,9H2,2H3,(H,13,14).
What are the key properties of prop-2-enyl N-(4-ethylcyclohexa-2,5-dien-1-yl)carbamate?
prop-2-enyl N-(4-ethylcyclohexa-2,5-dien-1-yl)carbamate has a molecular weight of 207.27 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(4-ethylcyclohexa-2,5-dien-1-yl)carbamate is sourced from PubChem (CID 10921687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).