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

C8H13NO2 — CID 4113533

IUPACmethyl N,N-bis(prop-2-enyl)carbamate
SMILESC=CCN(CC=C)C(=O)OC
InChIInChI=1S/C8H13NO2/c1-4-6-9(7-5-2)8(10)11-3/h4-5H,1-2,6-7H2,3H3
InChIKeyDKRAQRTYONCSDE-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.43
Rot. Bonds4

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

methyl N,N-bis(prop-2-enyl)carbamate (PubChem CID 4113533) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl N,N-bis(prop-2-enyl)carbamate.

Molecular Properties

Compound Namemethyl N,N-bis(prop-2-enyl)carbamate
PubChem CID4113533
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl N,N-bis(prop-2-enyl)carbamate
SMILESC=CCN(CC=C)C(=O)OC
InChIInChI=1S/C8H13NO2/c1-4-6-9(7-5-2)8(10)11-3/h4-5H,1-2,6-7H2,3H3
InChIKeyDKRAQRTYONCSDE-UHFFFAOYSA-N
XLogP1.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.43
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 methyl N,N-bis(prop-2-enyl)carbamate?
The IUPAC name of methyl N,N-bis(prop-2-enyl)carbamate (CID 4113533) is methyl N,N-bis(prop-2-enyl)carbamate.
What is the SMILES notation for methyl N,N-bis(prop-2-enyl)carbamate?
The canonical SMILES for methyl N,N-bis(prop-2-enyl)carbamate is C=CCN(CC=C)C(=O)OC.
What is the InChIKey of methyl N,N-bis(prop-2-enyl)carbamate?
The InChIKey is DKRAQRTYONCSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-6-9(7-5-2)8(10)11-3/h4-5H,1-2,6-7H2,3H3.
What are the key properties of methyl N,N-bis(prop-2-enyl)carbamate?
methyl N,N-bis(prop-2-enyl)carbamate has a molecular weight of 155.20 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N-bis(prop-2-enyl)carbamate is sourced from PubChem (CID 4113533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).