[(2E,4E)-hepta-2,4-dienyl] carbamate

C8H13NO2 — CID 125475387

IUPAC[(2E,4E)-hepta-2,4-dienyl] carbamate
SMILESCC/C=C/C=C/COC(N)=O
InChIInChI=1S/C8H13NO2/c1-2-3-4-5-6-7-11-8(9)10/h3-6H,2,7H2,1H3,(H2,9,10)/b4-3+,6-5+
InChIKeyGLZQBQLIKJITER-VNKDHWASSA-N
MW155.20 g/mol
LogP1.60
Rot. Bonds4

About [(2E,4E)-hepta-2,4-dienyl] carbamate

[(2E,4E)-hepta-2,4-dienyl] carbamate (PubChem CID 125475387) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is [(2E,4E)-hepta-2,4-dienyl] carbamate.

Molecular Properties

Compound Name[(2E,4E)-hepta-2,4-dienyl] carbamate
PubChem CID125475387
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name[(2E,4E)-hepta-2,4-dienyl] carbamate
SMILESCC/C=C/C=C/COC(N)=O
InChIInChI=1S/C8H13NO2/c1-2-3-4-5-6-7-11-8(9)10/h3-6H,2,7H2,1H3,(H2,9,10)/b4-3+,6-5+
InChIKeyGLZQBQLIKJITER-VNKDHWASSA-N
XLogP1.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.60
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

[(2E,4E)-hepta-2,4-dienyl] (E)-2-methylbut-2-enoate
CID 91698107
(3E,5E)-octa-3,5-dienamide
CID 55289592
hepta-2,4-dienyl N-methyl-N-propan-2-ylcarbamate
CID 175987265
[(E)-oct-2-enyl] carbamate
CID 87240762
(5E)-octa-3,5-diene
CID 173104147
[(E)-3-methylsulfonylprop-2-enyl] carbamate
CID 175360018
2-O-[(E)-pent-2-enyl] 1-O-prop-2-enyl oxalate
CID 155300738
ethyl hepta-2,4-dienoate
CID 54483010
carbamic acid;hex-3-ene
CID 175321124
carbamic acid;(Z)-hex-3-ene
CID 158256779
(3Z,5E)-octa-3,5-dien-2-one
CID 6428552
ethane;(3Z,5Z)-octa-3,5-diene
CID 142104932

Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-hepta-2,4-dienyl] carbamate?
The IUPAC name of [(2E,4E)-hepta-2,4-dienyl] carbamate (CID 125475387) is [(2E,4E)-hepta-2,4-dienyl] carbamate.
What is the SMILES notation for [(2E,4E)-hepta-2,4-dienyl] carbamate?
The canonical SMILES for [(2E,4E)-hepta-2,4-dienyl] carbamate is CC/C=C/C=C/COC(N)=O.
What is the InChIKey of [(2E,4E)-hepta-2,4-dienyl] carbamate?
The InChIKey is GLZQBQLIKJITER-VNKDHWASSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-3-4-5-6-7-11-8(9)10/h3-6H,2,7H2,1H3,(H2,9,10)/b4-3+,6-5+.
What are the key properties of [(2E,4E)-hepta-2,4-dienyl] carbamate?
[(2E,4E)-hepta-2,4-dienyl] carbamate has a molecular weight of 155.20 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-hepta-2,4-dienyl] carbamate is sourced from PubChem (CID 125475387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).