butan-2-yl N-ethenyl-N-methylcarbamate

C8H15NO2 — CID 19746872

IUPACbutan-2-yl N-ethenyl-N-methylcarbamate
SMILESC=CN(C)C(=O)OC(C)CC
InChIInChI=1S/C8H15NO2/c1-5-7(3)11-8(10)9(4)6-2/h6-7H,2,5H2,1,3-4H3
InChIKeyAMCOJODPCUYFTI-UHFFFAOYSA-N
MW157.21 g/mol
LogP2.00
Rot. Bonds3

About butan-2-yl N-ethenyl-N-methylcarbamate

butan-2-yl N-ethenyl-N-methylcarbamate (PubChem CID 19746872) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is butan-2-yl N-ethenyl-N-methylcarbamate.

Molecular Properties

Compound Namebutan-2-yl N-ethenyl-N-methylcarbamate
PubChem CID19746872
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namebutan-2-yl N-ethenyl-N-methylcarbamate
SMILESC=CN(C)C(=O)OC(C)CC
InChIInChI=1S/C8H15NO2/c1-5-7(3)11-8(10)9(4)6-2/h6-7H,2,5H2,1,3-4H3
InChIKeyAMCOJODPCUYFTI-UHFFFAOYSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl N-ethenyl-N-methylcarbamate?
The IUPAC name of butan-2-yl N-ethenyl-N-methylcarbamate (CID 19746872) is butan-2-yl N-ethenyl-N-methylcarbamate.
What is the SMILES notation for butan-2-yl N-ethenyl-N-methylcarbamate?
The canonical SMILES for butan-2-yl N-ethenyl-N-methylcarbamate is C=CN(C)C(=O)OC(C)CC.
What is the InChIKey of butan-2-yl N-ethenyl-N-methylcarbamate?
The InChIKey is AMCOJODPCUYFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-7(3)11-8(10)9(4)6-2/h6-7H,2,5H2,1,3-4H3.
What are the key properties of butan-2-yl N-ethenyl-N-methylcarbamate?
butan-2-yl N-ethenyl-N-methylcarbamate has a molecular weight of 157.21 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl N-ethenyl-N-methylcarbamate is sourced from PubChem (CID 19746872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).