tert-butyl N-[(Z)-4-cyclohexa-1,5-dien-1-ylbut-3-enyl]carbamate

C15H23NO2 — CID 143058931

IUPACtert-butyl N-[(Z)-4-cyclohexa-1,5-dien-1-ylbut-3-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC/C=C\C1=CCCC=C1
InChIInChI=1S/C15H23NO2/c1-15(2,3)18-14(17)16-12-8-7-11-13-9-5-4-6-10-13/h5,7,9-11H,4,6,8,12H2,1-3H3,(H,16,17)/b11-7-
InChIKeyJVZVDLUMSUZJTE-XFFZJAGNSA-N
MW249.35 g/mol
LogP3.73
Rot. Bonds4

About tert-butyl N-[(Z)-4-cyclohexa-1,5-dien-1-ylbut-3-enyl]carbamate

tert-butyl N-[(Z)-4-cyclohexa-1,5-dien-1-ylbut-3-enyl]carbamate (PubChem CID 143058931) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is tert-butyl N-[(Z)-4-cyclohexa-1,5-dien-1-ylbut-3-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-4-cyclohexa-1,5-dien-1-ylbut-3-enyl]carbamate
PubChem CID143058931
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nametert-butyl N-[(Z)-4-cyclohexa-1,5-dien-1-ylbut-3-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC/C=C\C1=CCCC=C1
InChIInChI=1S/C15H23NO2/c1-15(2,3)18-14(17)16-12-8-7-11-13-9-5-4-6-10-13/h5,7,9-11H,4,6,8,12H2,1-3H3,(H,16,17)/b11-7-
InChIKeyJVZVDLUMSUZJTE-XFFZJAGNSA-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'}

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Related Compounds

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CID 12181732
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tert-Butyl cyclohex-3-enylcarbamate
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tert-butyl N-[(E)-4-cyclohexylidenebut-2-enyl]carbamate
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CID 66696471
tert-butyl N-(2-cyclohexa-1,4-dien-1-ylethyl)carbamate
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tert-butyl N-[(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]carbamate
CID 91347664
tert-butyl N-[2-(4-fluorocyclohexa-1,5-dien-1-yl)propyl]carbamate
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tert-butyl N-[5-(aminomethyl)-6-fluorocyclohexa-2,4-dien-1-yl]carbamate
CID 164939496
tert-butyl N-[(3E)-1-amino-4-fluorohexa-3,5-dienyl]carbamate
CID 169995908

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-4-cyclohexa-1,5-dien-1-ylbut-3-enyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-4-cyclohexa-1,5-dien-1-ylbut-3-enyl]carbamate (CID 143058931) is tert-butyl N-[(Z)-4-cyclohexa-1,5-dien-1-ylbut-3-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-4-cyclohexa-1,5-dien-1-ylbut-3-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-4-cyclohexa-1,5-dien-1-ylbut-3-enyl]carbamate is CC(C)(C)OC(=O)NCC/C=C\C1=CCCC=C1.
What is the InChIKey of tert-butyl N-[(Z)-4-cyclohexa-1,5-dien-1-ylbut-3-enyl]carbamate?
The InChIKey is JVZVDLUMSUZJTE-XFFZJAGNSA-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/h5,7,9-11H,4,6,8,12H2,1-3H3,(H,16,17)/b11-7-.
What are the key properties of tert-butyl N-[(Z)-4-cyclohexa-1,5-dien-1-ylbut-3-enyl]carbamate?
tert-butyl N-[(Z)-4-cyclohexa-1,5-dien-1-ylbut-3-enyl]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-[(Z)-4-cyclohexa-1,5-dien-1-ylbut-3-enyl]carbamate is sourced from PubChem (CID 143058931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).