prop-2-enyl N,N-diethylcarbamate

C8H15NO2 — CID 12602308

IUPACprop-2-enyl N,N-diethylcarbamate
SMILESC=CCOC(=O)N(CC)CC
InChIInChI=1S/C8H15NO2/c1-4-7-11-8(10)9(5-2)6-3/h4H,1,5-7H2,2-3H3
InChIKeyYMFAFCCFTRYJDY-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.65
Rot. Bonds4

About prop-2-enyl N,N-diethylcarbamate

prop-2-enyl N,N-diethylcarbamate (PubChem CID 12602308) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is prop-2-enyl N,N-diethylcarbamate.

Molecular Properties

Compound Nameprop-2-enyl N,N-diethylcarbamate
PubChem CID12602308
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameprop-2-enyl N,N-diethylcarbamate
SMILESC=CCOC(=O)N(CC)CC
InChIInChI=1S/C8H15NO2/c1-4-7-11-8(10)9(5-2)6-3/h4H,1,5-7H2,2-3H3
InChIKeyYMFAFCCFTRYJDY-UHFFFAOYSA-N
XLogP1.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N,N-diethylcarbamate?
The IUPAC name of prop-2-enyl N,N-diethylcarbamate (CID 12602308) is prop-2-enyl N,N-diethylcarbamate.
What is the SMILES notation for prop-2-enyl N,N-diethylcarbamate?
The canonical SMILES for prop-2-enyl N,N-diethylcarbamate is C=CCOC(=O)N(CC)CC.
What is the InChIKey of prop-2-enyl N,N-diethylcarbamate?
The InChIKey is YMFAFCCFTRYJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-7-11-8(10)9(5-2)6-3/h4H,1,5-7H2,2-3H3.
What are the key properties of prop-2-enyl N,N-diethylcarbamate?
prop-2-enyl N,N-diethylcarbamate has a molecular weight of 157.21 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N,N-diethylcarbamate is sourced from PubChem (CID 12602308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).