cyclohexa-1,5-dien-1-ylmethyl N-(2-oxocyclohexyl)carbamate

C14H19NO3 — CID 143473828

IUPACcyclohexa-1,5-dien-1-ylmethyl N-(2-oxocyclohexyl)carbamate
SMILESO=C(NC1CCCCC1=O)OCC1=CCCC=C1
InChIInChI=1S/C14H19NO3/c16-13-9-5-4-8-12(13)15-14(17)18-10-11-6-2-1-3-7-11/h2,6-7,12H,1,3-5,8-10H2,(H,15,17)
InChIKeyUCTZURZYZDHVAW-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.50
Rot. Bonds3

About cyclohexa-1,5-dien-1-ylmethyl N-(2-oxocyclohexyl)carbamate

cyclohexa-1,5-dien-1-ylmethyl N-(2-oxocyclohexyl)carbamate (PubChem CID 143473828) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-ylmethyl N-(2-oxocyclohexyl)carbamate.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-ylmethyl N-(2-oxocyclohexyl)carbamate
PubChem CID143473828
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namecyclohexa-1,5-dien-1-ylmethyl N-(2-oxocyclohexyl)carbamate
SMILESO=C(NC1CCCCC1=O)OCC1=CCCC=C1
InChIInChI=1S/C14H19NO3/c16-13-9-5-4-8-12(13)15-14(17)18-10-11-6-2-1-3-7-11/h2,6-7,12H,1,3-5,8-10H2,(H,15,17)
InChIKeyUCTZURZYZDHVAW-UHFFFAOYSA-N
XLogP2.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclohexa-1,5-dien-1-ylmethyl N-(2-oxocyclohexyl)carbamate 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 N-[(1S)-2-oxocyclohexyl]carbamate
CID 14219049
ethyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 10856185
cyclohexa-1,5-dien-1-ylmethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazepan-1-yl]acetate
CID 142114345
cyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate
CID 155132308
(4-propylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate
CID 158795874
(4-tert-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate
CID 157101852
cyclohexa-1,5-dien-1-ylmethyl N-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]cyclobutyl]carbamate
CID 178166255
2-(cyclohexa-1,5-dien-1-ylmethoxycarbonylamino)butanedioic acid
CID 22094676
2-fluorocyclohexa-1,3-diene;2-(methylamino)cyclohexan-1-one
CID 156803415
cyclohepta-1,4,6-trien-1-ylmethyl N-cyclohexylcarbamate
CID 143007968
cyclohexa-1,5-dien-1-ylmethyl 2-formylpyrrolidine-1-carboxylate
CID 142850854
cyclohexa-1,5-dien-1-ylmethyl N-benzylcarbamate;molecular hydrogen
CID 156740517

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-ylmethyl N-(2-oxocyclohexyl)carbamate?
The IUPAC name of cyclohexa-1,5-dien-1-ylmethyl N-(2-oxocyclohexyl)carbamate (CID 143473828) is cyclohexa-1,5-dien-1-ylmethyl N-(2-oxocyclohexyl)carbamate.
What is the SMILES notation for cyclohexa-1,5-dien-1-ylmethyl N-(2-oxocyclohexyl)carbamate?
The canonical SMILES for cyclohexa-1,5-dien-1-ylmethyl N-(2-oxocyclohexyl)carbamate is O=C(NC1CCCCC1=O)OCC1=CCCC=C1.
What is the InChIKey of cyclohexa-1,5-dien-1-ylmethyl N-(2-oxocyclohexyl)carbamate?
The InChIKey is UCTZURZYZDHVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13-9-5-4-8-12(13)15-14(17)18-10-11-6-2-1-3-7-11/h2,6-7,12H,1,3-5,8-10H2,(H,15,17).
What are the key properties of cyclohexa-1,5-dien-1-ylmethyl N-(2-oxocyclohexyl)carbamate?
cyclohexa-1,5-dien-1-ylmethyl N-(2-oxocyclohexyl)carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-ylmethyl N-(2-oxocyclohexyl)carbamate is sourced from PubChem (CID 143473828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).