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

C7H14N2O2 — CID 11435085

IUPACprop-2-enyl N-(3-aminopropyl)carbamate
SMILESC=CCOC(=O)NCCCN
InChIInChI=1S/C7H14N2O2/c1-2-6-11-7(10)9-5-3-4-8/h2H,1,3-6,8H2,(H,9,10)
InChIKeyCYNLFDUVNBBRKU-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.25
Rot. Bonds5

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

prop-2-enyl N-(3-aminopropyl)carbamate (PubChem CID 11435085) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is prop-2-enyl N-(3-aminopropyl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(3-aminopropyl)carbamate
PubChem CID11435085
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Nameprop-2-enyl N-(3-aminopropyl)carbamate
SMILESC=CCOC(=O)NCCCN
InChIInChI=1S/C7H14N2O2/c1-2-6-11-7(10)9-5-3-4-8/h2H,1,3-6,8H2,(H,9,10)
InChIKeyCYNLFDUVNBBRKU-UHFFFAOYSA-N
XLogP0.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.25
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'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-(3-aminopropyl)carbamate?
The IUPAC name of prop-2-enyl N-(3-aminopropyl)carbamate (CID 11435085) is prop-2-enyl N-(3-aminopropyl)carbamate.
What is the SMILES notation for prop-2-enyl N-(3-aminopropyl)carbamate?
The canonical SMILES for prop-2-enyl N-(3-aminopropyl)carbamate is C=CCOC(=O)NCCCN.
What is the InChIKey of prop-2-enyl N-(3-aminopropyl)carbamate?
The InChIKey is CYNLFDUVNBBRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-6-11-7(10)9-5-3-4-8/h2H,1,3-6,8H2,(H,9,10).
What are the key properties of prop-2-enyl N-(3-aminopropyl)carbamate?
prop-2-enyl N-(3-aminopropyl)carbamate has a molecular weight of 158.20 g/mol, XLogP of 0.25, 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-aminopropyl)carbamate is sourced from PubChem (CID 11435085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).