2-methylpropyl N-(2-methylprop-2-enyl)carbamate

C9H17NO2 — CID 91706091

IUPAC2-methylpropyl N-(2-methylprop-2-enyl)carbamate
SMILESC=C(C)CNC(=O)OCC(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)5-10-9(11)12-6-8(3)4/h8H,1,5-6H2,2-4H3,(H,10,11)
InChIKeyVYKSOKPNAGVUGR-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.94
Rot. Bonds4

About 2-methylpropyl N-(2-methylprop-2-enyl)carbamate

2-methylpropyl N-(2-methylprop-2-enyl)carbamate (PubChem CID 91706091) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methylpropyl N-(2-methylprop-2-enyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(2-methylprop-2-enyl)carbamate
PubChem CID91706091
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-methylpropyl N-(2-methylprop-2-enyl)carbamate
SMILESC=C(C)CNC(=O)OCC(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)5-10-9(11)12-6-8(3)4/h8H,1,5-6H2,2-4H3,(H,10,11)
InChIKeyVYKSOKPNAGVUGR-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
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-(2-methylprop-2-enyl)carbamate?
The IUPAC name of 2-methylpropyl N-(2-methylprop-2-enyl)carbamate (CID 91706091) is 2-methylpropyl N-(2-methylprop-2-enyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(2-methylprop-2-enyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(2-methylprop-2-enyl)carbamate is C=C(C)CNC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-(2-methylprop-2-enyl)carbamate?
The InChIKey is VYKSOKPNAGVUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)5-10-9(11)12-6-8(3)4/h8H,1,5-6H2,2-4H3,(H,10,11).
What are the key properties of 2-methylpropyl N-(2-methylprop-2-enyl)carbamate?
2-methylpropyl N-(2-methylprop-2-enyl)carbamate has a molecular weight of 171.24 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(2-methylprop-2-enyl)carbamate is sourced from PubChem (CID 91706091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).