benzyl N-pent-4-en-2-ylcarbamate

C13H17NO2 — CID 50916610

IUPACbenzyl N-pent-4-en-2-ylcarbamate
SMILESC=CCC(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-7-11(2)14-13(15)16-10-12-8-5-4-6-9-12/h3-6,8-9,11H,1,7,10H2,2H3,(H,14,15)
InChIKeySVKYSLLLIYDWDJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.88
Rot. Bonds5

About benzyl N-pent-4-en-2-ylcarbamate

benzyl N-pent-4-en-2-ylcarbamate (PubChem CID 50916610) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is benzyl N-pent-4-en-2-ylcarbamate.

Molecular Properties

Compound Namebenzyl N-pent-4-en-2-ylcarbamate
PubChem CID50916610
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namebenzyl N-pent-4-en-2-ylcarbamate
SMILESC=CCC(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-7-11(2)14-13(15)16-10-12-8-5-4-6-9-12/h3-6,8-9,11H,1,7,10H2,2H3,(H,14,15)
InChIKeySVKYSLLLIYDWDJ-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.88
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-(6-methyl-5-oxohept-1-en-4-yl)carbamate
CID 10956741
(2R)-2-amino-N-pent-4-en-2-yl-3-phenylpropanamide
CID 103797386
prop-2-enyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 11139956
benzyl N-[(4R,5S)-5-hydroxy-2-methyloct-7-en-4-yl]carbamate
CID 10913307
benzyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 11631115
benzyl N-[(2R)-1-oxo-1-phenylpent-4-en-2-yl]carbamate
CID 86614018
benzyl N-[1-(4-methoxyphenyl)but-3-enyl]carbamate
CID 11392783
benzyl N-(1-phenylhex-5-en-3-yl)carbamate
CID 11120434
(2S,3R)-2-(phenylmethoxycarbonylamino)-3-prop-2-enylbutanedioic acid
CID 10638414
phenyl N-pent-4-en-2-ylcarbamate
CID 115631343
benzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate
CID 103393753
(2S)-3-methyl-2-[2-(phenylmethoxycarbonylamino)pent-4-enoylamino]butanoic acid
CID 20662989

Frequently Asked Questions

What is the IUPAC name of benzyl N-pent-4-en-2-ylcarbamate?
The IUPAC name of benzyl N-pent-4-en-2-ylcarbamate (CID 50916610) is benzyl N-pent-4-en-2-ylcarbamate.
What is the SMILES notation for benzyl N-pent-4-en-2-ylcarbamate?
The canonical SMILES for benzyl N-pent-4-en-2-ylcarbamate is C=CCC(C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-pent-4-en-2-ylcarbamate?
The InChIKey is SVKYSLLLIYDWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-7-11(2)14-13(15)16-10-12-8-5-4-6-9-12/h3-6,8-9,11H,1,7,10H2,2H3,(H,14,15).
What are the key properties of benzyl N-pent-4-en-2-ylcarbamate?
benzyl N-pent-4-en-2-ylcarbamate has a molecular weight of 219.28 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-pent-4-en-2-ylcarbamate is sourced from PubChem (CID 50916610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).