methyl N-[(E)-5-phenylpent-3-en-2-yl]carbamate

C13H17NO2 — CID 101141877

IUPACmethyl N-[(E)-5-phenylpent-3-en-2-yl]carbamate
SMILESCOC(=O)NC(C)/C=C/Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-11(14-13(15)16-2)7-6-10-12-8-4-3-5-9-12/h3-9,11H,10H2,1-2H3,(H,14,15)/b7-6+
InChIKeyRZPPUMLMXLOCSJ-VOTSOKGWSA-N
MW219.28 g/mol
LogP2.53
Rot. Bonds4

About methyl N-[(E)-5-phenylpent-3-en-2-yl]carbamate

methyl N-[(E)-5-phenylpent-3-en-2-yl]carbamate (PubChem CID 101141877) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl N-[(E)-5-phenylpent-3-en-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-5-phenylpent-3-en-2-yl]carbamate
PubChem CID101141877
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl N-[(E)-5-phenylpent-3-en-2-yl]carbamate
SMILESCOC(=O)NC(C)/C=C/Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-11(14-13(15)16-2)7-6-10-12-8-4-3-5-9-12/h3-9,11H,10H2,1-2H3,(H,14,15)/b7-6+
InChIKeyRZPPUMLMXLOCSJ-VOTSOKGWSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl N-[(E)-5-phenylpent-3-en-2-yl]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

methyl (E,2S,5R)-2-methyl-5-(phenylmethoxycarbonylamino)hex-3-enoate
CID 10613529
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
methyl (E,2S,5S)-2-methoxy-5-(phenylmethoxycarbonylamino)hex-3-enoate
CID 10709858
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(Z,2S)-5-phenylpent-3-en-2-yl]carbamate
CID 11728129
methyl N-(1-methoxy-2-phenylethyl)carbamate
CID 11085058
methyl hydrogen carbonate;2-phenylacetaldehyde
CID 175092622
methyl N-[(2S)-1-phenylbutan-2-yl]carbamate
CID 118461048
methyl N-(1,2-diphenylethyl)carbamate
CID 139785732
2-(2-methylpropyl)-5-phenylpent-3-enal
CID 173306473
tert-butyl N-[(E,2S)-4-phenylbut-3-en-2-yl]carbamate
CID 10955879
tert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate
CID 11983772
methyl (E,5S,6S,7S)-6-(methoxycarbonylamino)-5-methyl-7-phenylmethoxyoct-3-enoate
CID 101078147

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-5-phenylpent-3-en-2-yl]carbamate?
The IUPAC name of methyl N-[(E)-5-phenylpent-3-en-2-yl]carbamate (CID 101141877) is methyl N-[(E)-5-phenylpent-3-en-2-yl]carbamate.
What is the SMILES notation for methyl N-[(E)-5-phenylpent-3-en-2-yl]carbamate?
The canonical SMILES for methyl N-[(E)-5-phenylpent-3-en-2-yl]carbamate is COC(=O)NC(C)/C=C/Cc1ccccc1.
What is the InChIKey of methyl N-[(E)-5-phenylpent-3-en-2-yl]carbamate?
The InChIKey is RZPPUMLMXLOCSJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H17NO2/c1-11(14-13(15)16-2)7-6-10-12-8-4-3-5-9-12/h3-9,11H,10H2,1-2H3,(H,14,15)/b7-6+.
What are the key properties of methyl N-[(E)-5-phenylpent-3-en-2-yl]carbamate?
methyl N-[(E)-5-phenylpent-3-en-2-yl]carbamate has a molecular weight of 219.28 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-5-phenylpent-3-en-2-yl]carbamate is sourced from PubChem (CID 101141877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).