prop-2-enyl N,N-bis(prop-2-enyl)carbamate

C10H15NO2 — CID 11745252

IUPACprop-2-enyl N,N-bis(prop-2-enyl)carbamate
SMILESC=CCOC(=O)N(CC=C)CC=C
InChIInChI=1S/C10H15NO2/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-6H,1-3,7-9H2
InChIKeyAQEJTGLIAHBYQK-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.98
Rot. Bonds6

About prop-2-enyl N,N-bis(prop-2-enyl)carbamate

prop-2-enyl N,N-bis(prop-2-enyl)carbamate (PubChem CID 11745252) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is prop-2-enyl N,N-bis(prop-2-enyl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N,N-bis(prop-2-enyl)carbamate
PubChem CID11745252
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameprop-2-enyl N,N-bis(prop-2-enyl)carbamate
SMILESC=CCOC(=O)N(CC=C)CC=C
InChIInChI=1S/C10H15NO2/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-6H,1-3,7-9H2
InChIKeyAQEJTGLIAHBYQK-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.98
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-bis(prop-2-enyl)carbamate?
The IUPAC name of prop-2-enyl N,N-bis(prop-2-enyl)carbamate (CID 11745252) is prop-2-enyl N,N-bis(prop-2-enyl)carbamate.
What is the SMILES notation for prop-2-enyl N,N-bis(prop-2-enyl)carbamate?
The canonical SMILES for prop-2-enyl N,N-bis(prop-2-enyl)carbamate is C=CCOC(=O)N(CC=C)CC=C.
What is the InChIKey of prop-2-enyl N,N-bis(prop-2-enyl)carbamate?
The InChIKey is AQEJTGLIAHBYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-6H,1-3,7-9H2.
What are the key properties of prop-2-enyl N,N-bis(prop-2-enyl)carbamate?
prop-2-enyl N,N-bis(prop-2-enyl)carbamate has a molecular weight of 181.23 g/mol, XLogP of 1.98, 6 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-bis(prop-2-enyl)carbamate is sourced from PubChem (CID 11745252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).