prop-2-enyl N-(5-oxopentyl)carbamate

C9H15NO3 — CID 54167459

IUPACprop-2-enyl N-(5-oxopentyl)carbamate
SMILESC=CCOC(=O)NCCCCC=O
InChIInChI=1S/C9H15NO3/c1-2-8-13-9(12)10-6-4-3-5-7-11/h2,7H,1,3-6,8H2,(H,10,12)
InChIKeyXSCAIMARUHAUFL-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.27
Rot. Bonds7

About prop-2-enyl N-(5-oxopentyl)carbamate

prop-2-enyl N-(5-oxopentyl)carbamate (PubChem CID 54167459) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is prop-2-enyl N-(5-oxopentyl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(5-oxopentyl)carbamate
PubChem CID54167459
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameprop-2-enyl N-(5-oxopentyl)carbamate
SMILESC=CCOC(=O)NCCCCC=O
InChIInChI=1S/C9H15NO3/c1-2-8-13-9(12)10-6-4-3-5-7-11/h2,7H,1,3-6,8H2,(H,10,12)
InChIKeyXSCAIMARUHAUFL-UHFFFAOYSA-N
XLogP1.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-(5-oxopentyl)carbamate?
The IUPAC name of prop-2-enyl N-(5-oxopentyl)carbamate (CID 54167459) is prop-2-enyl N-(5-oxopentyl)carbamate.
What is the SMILES notation for prop-2-enyl N-(5-oxopentyl)carbamate?
The canonical SMILES for prop-2-enyl N-(5-oxopentyl)carbamate is C=CCOC(=O)NCCCCC=O.
What is the InChIKey of prop-2-enyl N-(5-oxopentyl)carbamate?
The InChIKey is XSCAIMARUHAUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-8-13-9(12)10-6-4-3-5-7-11/h2,7H,1,3-6,8H2,(H,10,12).
What are the key properties of prop-2-enyl N-(5-oxopentyl)carbamate?
prop-2-enyl N-(5-oxopentyl)carbamate has a molecular weight of 185.22 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(5-oxopentyl)carbamate is sourced from PubChem (CID 54167459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).