phenyl N-[(1E,3E)-penta-1,3-dienyl]carbamate

C12H13NO2 — CID 5384224

IUPACphenyl N-[(1E,3E)-penta-1,3-dienyl]carbamate
SMILESC/C=C/C=C/NC(=O)Oc1ccccc1
InChIInChI=1S/C12H13NO2/c1-2-3-7-10-13-12(14)15-11-8-5-4-6-9-11/h2-10H,1H3,(H,13,14)/b3-2+,10-7+
InChIKeyHSJJZAOPZXUGFQ-AWSPGERNSA-N
MW203.24 g/mol
LogP2.86
Rot. Bonds3

About phenyl N-[(1E,3E)-penta-1,3-dienyl]carbamate

phenyl N-[(1E,3E)-penta-1,3-dienyl]carbamate (PubChem CID 5384224) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is phenyl N-[(1E,3E)-penta-1,3-dienyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(1E,3E)-penta-1,3-dienyl]carbamate
PubChem CID5384224
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Namephenyl N-[(1E,3E)-penta-1,3-dienyl]carbamate
SMILESC/C=C/C=C/NC(=O)Oc1ccccc1
InChIInChI=1S/C12H13NO2/c1-2-3-7-10-13-12(14)15-11-8-5-4-6-9-11/h2-10H,1H3,(H,13,14)/b3-2+,10-7+
InChIKeyHSJJZAOPZXUGFQ-AWSPGERNSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
phenyl N-phenoxycarbonylcarbamate
CID 11043392
phenyl N-(methylamino)carbamate
CID 59676988
phenyl N-[(E)-3-(phenoxycarbonylamino)but-2-en-2-yl]carbamate
CID 166171820
phenyl N-(2-oxopropyl)carbamate
CID 18713777
phenyl N-benzoylcarbamate
CID 66560330
2-(phenoxycarbonylamino)-2-phenylpropanoic acid
CID 62489572
bis(phenoxycarbonylamino) (E)-but-2-enedioate
CID 88500231
diphenyl oxalate;ethane
CID 162013592
(E)-1-phenoxyprop-1-en-1-ol
CID 21243991
phenyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate
CID 61121026
ethane;methyl phenyl carbonate
CID 91113838

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(1E,3E)-penta-1,3-dienyl]carbamate?
The IUPAC name of phenyl N-[(1E,3E)-penta-1,3-dienyl]carbamate (CID 5384224) is phenyl N-[(1E,3E)-penta-1,3-dienyl]carbamate.
What is the SMILES notation for phenyl N-[(1E,3E)-penta-1,3-dienyl]carbamate?
The canonical SMILES for phenyl N-[(1E,3E)-penta-1,3-dienyl]carbamate is C/C=C/C=C/NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[(1E,3E)-penta-1,3-dienyl]carbamate?
The InChIKey is HSJJZAOPZXUGFQ-AWSPGERNSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-3-7-10-13-12(14)15-11-8-5-4-6-9-11/h2-10H,1H3,(H,13,14)/b3-2+,10-7+.
What are the key properties of phenyl N-[(1E,3E)-penta-1,3-dienyl]carbamate?
phenyl N-[(1E,3E)-penta-1,3-dienyl]carbamate has a molecular weight of 203.24 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(1E,3E)-penta-1,3-dienyl]carbamate is sourced from PubChem (CID 5384224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).