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

C11H19NO2 — CID 56997940

IUPAC2-methylpropyl N,N-bis(prop-2-enyl)carbamate
SMILESC=CCN(CC=C)C(=O)OCC(C)C
InChIInChI=1S/C11H19NO2/c1-5-7-12(8-6-2)11(13)14-9-10(3)4/h5-6,10H,1-2,7-9H2,3-4H3
InChIKeyWFMVGJXKBGHNCM-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.45
Rot. Bonds6

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

2-methylpropyl N,N-bis(prop-2-enyl)carbamate (PubChem CID 56997940) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methylpropyl N,N-bis(prop-2-enyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N,N-bis(prop-2-enyl)carbamate
PubChem CID56997940
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-methylpropyl N,N-bis(prop-2-enyl)carbamate
SMILESC=CCN(CC=C)C(=O)OCC(C)C
InChIInChI=1S/C11H19NO2/c1-5-7-12(8-6-2)11(13)14-9-10(3)4/h5-6,10H,1-2,7-9H2,3-4H3
InChIKeyWFMVGJXKBGHNCM-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.45
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 2-methylpropyl N,N-bis(prop-2-enyl)carbamate?
The IUPAC name of 2-methylpropyl N,N-bis(prop-2-enyl)carbamate (CID 56997940) is 2-methylpropyl N,N-bis(prop-2-enyl)carbamate.
What is the SMILES notation for 2-methylpropyl N,N-bis(prop-2-enyl)carbamate?
The canonical SMILES for 2-methylpropyl N,N-bis(prop-2-enyl)carbamate is C=CCN(CC=C)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N,N-bis(prop-2-enyl)carbamate?
The InChIKey is WFMVGJXKBGHNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-7-12(8-6-2)11(13)14-9-10(3)4/h5-6,10H,1-2,7-9H2,3-4H3.
What are the key properties of 2-methylpropyl N,N-bis(prop-2-enyl)carbamate?
2-methylpropyl N,N-bis(prop-2-enyl)carbamate has a molecular weight of 197.28 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N,N-bis(prop-2-enyl)carbamate is sourced from PubChem (CID 56997940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).