butyl N-prop-2-enylcarbamate

C8H15NO2 — CID 10920769

IUPACbutyl N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OCCCC
InChIInChI=1S/C8H15NO2/c1-3-5-7-11-8(10)9-6-4-2/h4H,2-3,5-7H2,1H3,(H,9,10)
InChIKeyQCYMBPGZIPJRRA-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.70
Rot. Bonds5

About butyl N-prop-2-enylcarbamate

butyl N-prop-2-enylcarbamate (PubChem CID 10920769) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is butyl N-prop-2-enylcarbamate.

Molecular Properties

Compound Namebutyl N-prop-2-enylcarbamate
PubChem CID10920769
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namebutyl N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OCCCC
InChIInChI=1S/C8H15NO2/c1-3-5-7-11-8(10)9-6-4-2/h4H,2-3,5-7H2,1H3,(H,9,10)
InChIKeyQCYMBPGZIPJRRA-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butyl N-prop-2-enylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butyl N-prop-2-enylcarbamate?
The IUPAC name of butyl N-prop-2-enylcarbamate (CID 10920769) is butyl N-prop-2-enylcarbamate.
What is the SMILES notation for butyl N-prop-2-enylcarbamate?
The canonical SMILES for butyl N-prop-2-enylcarbamate is C=CCNC(=O)OCCCC.
What is the InChIKey of butyl N-prop-2-enylcarbamate?
The InChIKey is QCYMBPGZIPJRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-5-7-11-8(10)9-6-4-2/h4H,2-3,5-7H2,1H3,(H,9,10).
What are the key properties of butyl N-prop-2-enylcarbamate?
butyl N-prop-2-enylcarbamate has a molecular weight of 157.21 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-prop-2-enylcarbamate is sourced from PubChem (CID 10920769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).