propyl N-penta-1,3-dienylcarbamate

C9H15NO2 — CID 71422705

IUPACpropyl N-penta-1,3-dienylcarbamate
SMILESCC=CC=CNC(=O)OCCC
InChIInChI=1S/C9H15NO2/c1-3-5-6-7-10-9(11)12-8-4-2/h3,5-7H,4,8H2,1-2H3,(H,10,11)
InChIKeyUNZLYTIAFCJWFJ-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.21
Rot. Bonds4

About propyl N-penta-1,3-dienylcarbamate

propyl N-penta-1,3-dienylcarbamate (PubChem CID 71422705) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is propyl N-penta-1,3-dienylcarbamate.

Molecular Properties

Compound Namepropyl N-penta-1,3-dienylcarbamate
PubChem CID71422705
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namepropyl N-penta-1,3-dienylcarbamate
SMILESCC=CC=CNC(=O)OCCC
InChIInChI=1S/C9H15NO2/c1-3-5-6-7-10-9(11)12-8-4-2/h3,5-7H,4,8H2,1-2H3,(H,10,11)
InChIKeyUNZLYTIAFCJWFJ-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.21
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

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methyl N-[(E)-prop-1-enyl]carbamate
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1,1-Dimethylethyl N-(1E)-1,3-butadien-1-ylcarbamate
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methyl N-prop-1-enylcarbamate
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methyl N-[(Z)-prop-1-enyl]carbamate
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Azacyclotrideca-2,4,6,8,10,12-hexaene-1-carboxylic acid, ethyl ester
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Crotyl-N-vinylcarbamat
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prop-2-enyl N-[(E)-prop-1-enyl]carbamate
CID 130006690
methyl N-[(1E,3E)-hexa-1,3,5-trienyl]carbamate
CID 5368703
prop-2-enyl N-[(1E,3E)-hexa-1,3-dienyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of propyl N-penta-1,3-dienylcarbamate?
The IUPAC name of propyl N-penta-1,3-dienylcarbamate (CID 71422705) is propyl N-penta-1,3-dienylcarbamate.
What is the SMILES notation for propyl N-penta-1,3-dienylcarbamate?
The canonical SMILES for propyl N-penta-1,3-dienylcarbamate is CC=CC=CNC(=O)OCCC.
What is the InChIKey of propyl N-penta-1,3-dienylcarbamate?
The InChIKey is UNZLYTIAFCJWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-5-6-7-10-9(11)12-8-4-2/h3,5-7H,4,8H2,1-2H3,(H,10,11).
What are the key properties of propyl N-penta-1,3-dienylcarbamate?
propyl N-penta-1,3-dienylcarbamate has a molecular weight of 169.22 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-penta-1,3-dienylcarbamate is sourced from PubChem (CID 71422705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).