tert-butyl N-(4-cyclohexa-2,4-dien-1-ylidenebutyl)carbamate

C15H23NO2 — CID 91086495

IUPACtert-butyl N-(4-cyclohexa-2,4-dien-1-ylidenebutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCC=C1C=CC=CC1
InChIInChI=1S/C15H23NO2/c1-15(2,3)18-14(17)16-12-8-7-11-13-9-5-4-6-10-13/h4-6,9,11H,7-8,10,12H2,1-3H3,(H,16,17)
InChIKeyXZQYINRVEXBALI-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.73
Rot. Bonds4

About tert-butyl N-(4-cyclohexa-2,4-dien-1-ylidenebutyl)carbamate

tert-butyl N-(4-cyclohexa-2,4-dien-1-ylidenebutyl)carbamate (PubChem CID 91086495) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is tert-butyl N-(4-cyclohexa-2,4-dien-1-ylidenebutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-cyclohexa-2,4-dien-1-ylidenebutyl)carbamate
PubChem CID91086495
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nametert-butyl N-(4-cyclohexa-2,4-dien-1-ylidenebutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCC=C1C=CC=CC1
InChIInChI=1S/C15H23NO2/c1-15(2,3)18-14(17)16-12-8-7-11-13-9-5-4-6-10-13/h4-6,9,11H,7-8,10,12H2,1-3H3,(H,16,17)
InChIKeyXZQYINRVEXBALI-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl N-(4-cyclohexa-2,4-dien-1-ylidenebutyl)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

Tert-butyl pent-4-EN-1-ylcarbamate
CID 12181732
N-1-Boc-Amino-3-cyclopentene
CID 2756764
tert-Butyl cyclohex-3-enylcarbamate
CID 11063381
tert-Butyl cyclohex-2-en-1-ylcarbamate
CID 10012946
tert-butyl N-[(E)-4-cyclohexylidenebut-2-enyl]carbamate
CID 14395680
tert-butyl N-(4-ethenylhexa-3,5-dienyl)carbamate
CID 134857643
Tert-butyl N-(2,6-dimethylhept-5-enyl)carbamate
CID 11492449
(R)-4-(Boc-amino)cyclohexene
CID 66696471
4-vinyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
CID 69069403
tert-butyl N-(2-cyclohexa-1,4-dien-1-ylethyl)carbamate
CID 155934190
(4-fluorocyclohexa-1,3-dien-1-yl) N-butylcarbamate
CID 90125093
tert-butyl N-[(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]carbamate
CID 91347664

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-cyclohexa-2,4-dien-1-ylidenebutyl)carbamate?
The IUPAC name of tert-butyl N-(4-cyclohexa-2,4-dien-1-ylidenebutyl)carbamate (CID 91086495) is tert-butyl N-(4-cyclohexa-2,4-dien-1-ylidenebutyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-cyclohexa-2,4-dien-1-ylidenebutyl)carbamate?
The canonical SMILES for tert-butyl N-(4-cyclohexa-2,4-dien-1-ylidenebutyl)carbamate is CC(C)(C)OC(=O)NCCCC=C1C=CC=CC1.
What is the InChIKey of tert-butyl N-(4-cyclohexa-2,4-dien-1-ylidenebutyl)carbamate?
The InChIKey is XZQYINRVEXBALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2,3)18-14(17)16-12-8-7-11-13-9-5-4-6-10-13/h4-6,9,11H,7-8,10,12H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-(4-cyclohexa-2,4-dien-1-ylidenebutyl)carbamate?
tert-butyl N-(4-cyclohexa-2,4-dien-1-ylidenebutyl)carbamate has a molecular weight of 249.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-cyclohexa-2,4-dien-1-ylidenebutyl)carbamate is sourced from PubChem (CID 91086495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).