3-methylbutyl N-ethenylcarbamate

C8H15NO2 — CID 146374933

IUPAC3-methylbutyl N-ethenylcarbamate
SMILESC=CNC(=O)OCCC(C)C
InChIInChI=1S/C8H15NO2/c1-4-9-8(10)11-6-5-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyZHMPSYWHVNPKST-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.90
Rot. Bonds4

About 3-methylbutyl N-ethenylcarbamate

3-methylbutyl N-ethenylcarbamate (PubChem CID 146374933) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-methylbutyl N-ethenylcarbamate.

Molecular Properties

Compound Name3-methylbutyl N-ethenylcarbamate
PubChem CID146374933
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-methylbutyl N-ethenylcarbamate
SMILESC=CNC(=O)OCCC(C)C
InChIInChI=1S/C8H15NO2/c1-4-9-8(10)11-6-5-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyZHMPSYWHVNPKST-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

propyl N-ethenylcarbamate;silane
CID 174610345
3-methylbutyl N-carbamoylcarbamate
CID 3027873
hept-6-enyl N-ethenylcarbamate
CID 166881876
2-ethylhexyl N-ethenylcarbamate
CID 21260803
bis(3-methylbutyl) 2-hydroxybutanedioate
CID 10308226
3-methylbutyl (Z)-but-2-enoate
CID 93481892
3-methylbutyl 2-hydroxybutanoate
CID 14923813
3-methylbutyl 2,3-dihydroxypropanoate
CID 87068414
3-methylbutyl 2-[ethyl(prop-2-enoyl)amino]acetate
CID 134486244
3-methylbutyl N-cyclohexylcarbamate
CID 86243713
3-methylbutyl N-phenylcarbamate
CID 69480810
3-methylbutyl acetate;oxophosphanium
CID 159706016

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl N-ethenylcarbamate?
The IUPAC name of 3-methylbutyl N-ethenylcarbamate (CID 146374933) is 3-methylbutyl N-ethenylcarbamate.
What is the SMILES notation for 3-methylbutyl N-ethenylcarbamate?
The canonical SMILES for 3-methylbutyl N-ethenylcarbamate is C=CNC(=O)OCCC(C)C.
What is the InChIKey of 3-methylbutyl N-ethenylcarbamate?
The InChIKey is ZHMPSYWHVNPKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-9-8(10)11-6-5-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10).
What are the key properties of 3-methylbutyl N-ethenylcarbamate?
3-methylbutyl N-ethenylcarbamate has a molecular weight of 157.21 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl N-ethenylcarbamate is sourced from PubChem (CID 146374933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).