2-methylpropyl N-(2-methylprop-1-enyl)carbamate

C9H17NO2 — CID 174609096

IUPAC2-methylpropyl N-(2-methylprop-1-enyl)carbamate
SMILESCC(C)=CNC(=O)OCC(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)5-10-9(11)12-6-8(3)4/h5,8H,6H2,1-4H3,(H,10,11)
InChIKeyMGWOFTJYPFIEIM-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.29
Rot. Bonds3

About 2-methylpropyl N-(2-methylprop-1-enyl)carbamate

2-methylpropyl N-(2-methylprop-1-enyl)carbamate (PubChem CID 174609096) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methylpropyl N-(2-methylprop-1-enyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(2-methylprop-1-enyl)carbamate
PubChem CID174609096
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-methylpropyl N-(2-methylprop-1-enyl)carbamate
SMILESCC(C)=CNC(=O)OCC(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)5-10-9(11)12-6-8(3)4/h5,8H,6H2,1-4H3,(H,10,11)
InChIKeyMGWOFTJYPFIEIM-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

amino N-(2-methylprop-1-enyl)carbamate
CID 174967018
2-methylpropyl N-hydroxycarbamate
CID 22467
2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
2-methylpropyl N-ethoxycarbamate
CID 115575426
2-methylpropyl acetate;hydrate
CID 86585368
2-methylpropyl N-(2-methylpropylideneamino)carbamate
CID 123852161
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
2-methylpropyl N-(2-hydroxypropyl)carbamate
CID 43427881
2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
2-methylpropyl N-[dimethyl(sulfanyl)-λ4-sulfanyl]carbamate
CID 146227835
2-methylpropyl N-ethylsulfanylcarbamate
CID 175564979
2-methylpropyl N-[2-(methylamino)ethyl]carbamate
CID 62658921

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(2-methylprop-1-enyl)carbamate?
The IUPAC name of 2-methylpropyl N-(2-methylprop-1-enyl)carbamate (CID 174609096) is 2-methylpropyl N-(2-methylprop-1-enyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(2-methylprop-1-enyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(2-methylprop-1-enyl)carbamate is CC(C)=CNC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-(2-methylprop-1-enyl)carbamate?
The InChIKey is MGWOFTJYPFIEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)5-10-9(11)12-6-8(3)4/h5,8H,6H2,1-4H3,(H,10,11).
What are the key properties of 2-methylpropyl N-(2-methylprop-1-enyl)carbamate?
2-methylpropyl N-(2-methylprop-1-enyl)carbamate has a molecular weight of 171.24 g/mol, XLogP of 2.29, 3 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-1-enyl)carbamate is sourced from PubChem (CID 174609096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).