benzyl N-[(E)-4-methylpent-2-enyl]carbamate

C14H19NO2 — CID 101141874

IUPACbenzyl N-[(E)-4-methylpent-2-enyl]carbamate
SMILESCC(C)/C=C/CNC(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO2/c1-12(2)7-6-10-15-14(16)17-11-13-8-4-3-5-9-13/h3-9,12H,10-11H2,1-2H3,(H,15,16)/b7-6+
InChIKeyOHDMTKWCRLQMGN-VOTSOKGWSA-N
MW233.31 g/mol
LogP3.12
Rot. Bonds5

About benzyl N-[(E)-4-methylpent-2-enyl]carbamate

benzyl N-[(E)-4-methylpent-2-enyl]carbamate (PubChem CID 101141874) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is benzyl N-[(E)-4-methylpent-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(E)-4-methylpent-2-enyl]carbamate
PubChem CID101141874
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namebenzyl N-[(E)-4-methylpent-2-enyl]carbamate
SMILESCC(C)/C=C/CNC(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO2/c1-12(2)7-6-10-15-14(16)17-11-13-8-4-3-5-9-13/h3-9,12H,10-11H2,1-2H3,(H,15,16)/b7-6+
InChIKeyOHDMTKWCRLQMGN-VOTSOKGWSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 146295191
benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
CID 169471209
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate
CID 169471140
benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate
CID 169471327
benzyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
CID 169471931
benzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate
CID 169471276
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate
CID 169471136
benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471202

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(E)-4-methylpent-2-enyl]carbamate?
The IUPAC name of benzyl N-[(E)-4-methylpent-2-enyl]carbamate (CID 101141874) is benzyl N-[(E)-4-methylpent-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[(E)-4-methylpent-2-enyl]carbamate?
The canonical SMILES for benzyl N-[(E)-4-methylpent-2-enyl]carbamate is CC(C)/C=C/CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(E)-4-methylpent-2-enyl]carbamate?
The InChIKey is OHDMTKWCRLQMGN-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H19NO2/c1-12(2)7-6-10-15-14(16)17-11-13-8-4-3-5-9-13/h3-9,12H,10-11H2,1-2H3,(H,15,16)/b7-6+.
What are the key properties of benzyl N-[(E)-4-methylpent-2-enyl]carbamate?
benzyl N-[(E)-4-methylpent-2-enyl]carbamate has a molecular weight of 233.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(E)-4-methylpent-2-enyl]carbamate is sourced from PubChem (CID 101141874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).