prop-2-enyl N-(3-hydroxypropyl)carbamate

C7H13NO3 — CID 5152731

IUPACprop-2-enyl N-(3-hydroxypropyl)carbamate
SMILESC=CCOC(=O)NCCCO
InChIInChI=1S/C7H13NO3/c1-2-6-11-7(10)8-4-3-5-9/h2,9H,1,3-6H2,(H,8,10)
InChIKeyZKLMTPLBEYYNKM-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.28
Rot. Bonds5

About prop-2-enyl N-(3-hydroxypropyl)carbamate

prop-2-enyl N-(3-hydroxypropyl)carbamate (PubChem CID 5152731) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is prop-2-enyl N-(3-hydroxypropyl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(3-hydroxypropyl)carbamate
PubChem CID5152731
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Nameprop-2-enyl N-(3-hydroxypropyl)carbamate
SMILESC=CCOC(=O)NCCCO
InChIInChI=1S/C7H13NO3/c1-2-6-11-7(10)8-4-3-5-9/h2,9H,1,3-6H2,(H,8,10)
InChIKeyZKLMTPLBEYYNKM-UHFFFAOYSA-N
XLogP0.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze prop-2-enyl N-(3-hydroxypropyl)carbamate 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 prop-2-enyl N-(3-hydroxypropyl)carbamate?
The IUPAC name of prop-2-enyl N-(3-hydroxypropyl)carbamate (CID 5152731) is prop-2-enyl N-(3-hydroxypropyl)carbamate.
What is the SMILES notation for prop-2-enyl N-(3-hydroxypropyl)carbamate?
The canonical SMILES for prop-2-enyl N-(3-hydroxypropyl)carbamate is C=CCOC(=O)NCCCO.
What is the InChIKey of prop-2-enyl N-(3-hydroxypropyl)carbamate?
The InChIKey is ZKLMTPLBEYYNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-6-11-7(10)8-4-3-5-9/h2,9H,1,3-6H2,(H,8,10).
What are the key properties of prop-2-enyl N-(3-hydroxypropyl)carbamate?
prop-2-enyl N-(3-hydroxypropyl)carbamate has a molecular weight of 159.18 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(3-hydroxypropyl)carbamate is sourced from PubChem (CID 5152731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).