benzyl N-cyclohexa-1,3-dien-1-ylcarbamate

C14H15NO2 — CID 23630437

IUPACbenzyl N-cyclohexa-1,3-dien-1-ylcarbamate
SMILESO=C(NC1=CC=CCC1)OCc1ccccc1
InChIInChI=1S/C14H15NO2/c16-14(15-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-5,7-9H,6,10-11H2,(H,15,16)
InChIKeyDQEVKMVESATGHF-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.15
Rot. Bonds3

About benzyl N-cyclohexa-1,3-dien-1-ylcarbamate

benzyl N-cyclohexa-1,3-dien-1-ylcarbamate (PubChem CID 23630437) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is benzyl N-cyclohexa-1,3-dien-1-ylcarbamate.

Molecular Properties

Compound Namebenzyl N-cyclohexa-1,3-dien-1-ylcarbamate
PubChem CID23630437
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namebenzyl N-cyclohexa-1,3-dien-1-ylcarbamate
SMILESO=C(NC1=CC=CCC1)OCc1ccccc1
InChIInChI=1S/C14H15NO2/c16-14(15-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-5,7-9H,6,10-11H2,(H,15,16)
InChIKeyDQEVKMVESATGHF-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze benzyl N-cyclohexa-1,3-dien-1-ylcarbamate with MolForge

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

Launch Full Analysis

Related Compounds

Benzyl carbamate
CID 12136
benzyl N-(3-aminopropyl)carbamate hydrochloride
CID 13196227
N-Carbobenzoxy-1,6-diaminohexane Hydrochloride
CID 13196229
benzyl N-(prop-2-en-1-yl)carbamate
CID 562279
4-Cbz-aminopiperidine
CID 1514304
benzyl N-(2-methylpropyl)carbamate
CID 14568365
Benzyl 3,4-dihydropyridine-1(2H)-carboxylate
CID 15637681
Benzyl N-(2-aminoethyl)carbamate
CID 2794257
benzyl N-ethenylcarbamate
CID 10931982
benzyl N-(2-cyanopropan-2-yl)carbamate
CID 18442523
benzyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate
CID 12325553
benzyl N-[(1E)-buta-1,3-dienyl]carbamate
CID 5384222

Frequently Asked Questions

What is the IUPAC name of benzyl N-cyclohexa-1,3-dien-1-ylcarbamate?
The IUPAC name of benzyl N-cyclohexa-1,3-dien-1-ylcarbamate (CID 23630437) is benzyl N-cyclohexa-1,3-dien-1-ylcarbamate.
What is the SMILES notation for benzyl N-cyclohexa-1,3-dien-1-ylcarbamate?
The canonical SMILES for benzyl N-cyclohexa-1,3-dien-1-ylcarbamate is O=C(NC1=CC=CCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-cyclohexa-1,3-dien-1-ylcarbamate?
The InChIKey is DQEVKMVESATGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-14(15-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-5,7-9H,6,10-11H2,(H,15,16).
What are the key properties of benzyl N-cyclohexa-1,3-dien-1-ylcarbamate?
benzyl N-cyclohexa-1,3-dien-1-ylcarbamate has a molecular weight of 229.28 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-cyclohexa-1,3-dien-1-ylcarbamate is sourced from PubChem (CID 23630437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).