prop-2-enyl N-[(1E,3E)-hexa-1,3-dienyl]carbamate

C10H15NO2 — CID 10976109

IUPACprop-2-enyl N-[(1E,3E)-hexa-1,3-dienyl]carbamate
SMILESC=CCOC(=O)N/C=C/C=C/CC
InChIInChI=1S/C10H15NO2/c1-3-5-6-7-8-11-10(12)13-9-4-2/h4-8H,2-3,9H2,1H3,(H,11,12)/b6-5+,8-7+
InChIKeyKLSCEZIMPUIRBT-BSWSSELBSA-N
MW181.23 g/mol
LogP2.38
Rot. Bonds5

About prop-2-enyl N-[(1E,3E)-hexa-1,3-dienyl]carbamate

prop-2-enyl N-[(1E,3E)-hexa-1,3-dienyl]carbamate (PubChem CID 10976109) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is prop-2-enyl N-[(1E,3E)-hexa-1,3-dienyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(1E,3E)-hexa-1,3-dienyl]carbamate
PubChem CID10976109
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameprop-2-enyl N-[(1E,3E)-hexa-1,3-dienyl]carbamate
SMILESC=CCOC(=O)N/C=C/C=C/CC
InChIInChI=1S/C10H15NO2/c1-3-5-6-7-8-11-10(12)13-9-4-2/h4-8H,2-3,9H2,1H3,(H,11,12)/b6-5+,8-7+
InChIKeyKLSCEZIMPUIRBT-BSWSSELBSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[(1E,3E)-hexa-1,3-dienyl]carbamate?
The IUPAC name of prop-2-enyl N-[(1E,3E)-hexa-1,3-dienyl]carbamate (CID 10976109) is prop-2-enyl N-[(1E,3E)-hexa-1,3-dienyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(1E,3E)-hexa-1,3-dienyl]carbamate?
The canonical SMILES for prop-2-enyl N-[(1E,3E)-hexa-1,3-dienyl]carbamate is C=CCOC(=O)N/C=C/C=C/CC.
What is the InChIKey of prop-2-enyl N-[(1E,3E)-hexa-1,3-dienyl]carbamate?
The InChIKey is KLSCEZIMPUIRBT-BSWSSELBSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-5-6-7-8-11-10(12)13-9-4-2/h4-8H,2-3,9H2,1H3,(H,11,12)/b6-5+,8-7+.
What are the key properties of prop-2-enyl N-[(1E,3E)-hexa-1,3-dienyl]carbamate?
prop-2-enyl N-[(1E,3E)-hexa-1,3-dienyl]carbamate has a molecular weight of 181.23 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(1E,3E)-hexa-1,3-dienyl]carbamate is sourced from PubChem (CID 10976109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).