methyl N-methyl-N-[(E)-3-methylbut-1-enyl]carbamate

C8H15NO2 — CID 101353840

IUPACmethyl N-methyl-N-[(E)-3-methylbut-1-enyl]carbamate
SMILESCOC(=O)N(C)/C=C/C(C)C
InChIInChI=1S/C8H15NO2/c1-7(2)5-6-9(3)8(10)11-4/h5-7H,1-4H3/b6-5+
InChIKeyXKJMDIJDGBMGMD-AATRIKPKSA-N
MW157.21 g/mol
LogP1.85
Rot. Bonds2

About methyl N-methyl-N-[(E)-3-methylbut-1-enyl]carbamate

methyl N-methyl-N-[(E)-3-methylbut-1-enyl]carbamate (PubChem CID 101353840) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl N-methyl-N-[(E)-3-methylbut-1-enyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[(E)-3-methylbut-1-enyl]carbamate
PubChem CID101353840
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl N-methyl-N-[(E)-3-methylbut-1-enyl]carbamate
SMILESCOC(=O)N(C)/C=C/C(C)C
InChIInChI=1S/C8H15NO2/c1-7(2)5-6-9(3)8(10)11-4/h5-7H,1-4H3/b6-5+
InChIKeyXKJMDIJDGBMGMD-AATRIKPKSA-N
XLogP1.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[(E)-3-methylbut-1-enyl]carbamate?
The IUPAC name of methyl N-methyl-N-[(E)-3-methylbut-1-enyl]carbamate (CID 101353840) is methyl N-methyl-N-[(E)-3-methylbut-1-enyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[(E)-3-methylbut-1-enyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[(E)-3-methylbut-1-enyl]carbamate is COC(=O)N(C)/C=C/C(C)C.
What is the InChIKey of methyl N-methyl-N-[(E)-3-methylbut-1-enyl]carbamate?
The InChIKey is XKJMDIJDGBMGMD-AATRIKPKSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(2)5-6-9(3)8(10)11-4/h5-7H,1-4H3/b6-5+.
What are the key properties of methyl N-methyl-N-[(E)-3-methylbut-1-enyl]carbamate?
methyl N-methyl-N-[(E)-3-methylbut-1-enyl]carbamate has a molecular weight of 157.21 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[(E)-3-methylbut-1-enyl]carbamate is sourced from PubChem (CID 101353840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).