methyl N-[(E)-but-1-enyl]carbamate

C6H11NO2 — CID 18533380

IUPACmethyl N-[(E)-but-1-enyl]carbamate
SMILESCC/C=C/NC(=O)OC
InChIInChI=1S/C6H11NO2/c1-3-4-5-7-6(8)9-2/h4-5H,3H2,1-2H3,(H,7,8)/b5-4+
InChIKeyVNYMKQWNOUINQH-SNAWJCMRSA-N
MW129.16 g/mol
LogP1.27
Rot. Bonds2

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

methyl N-[(E)-but-1-enyl]carbamate (PubChem CID 18533380) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is methyl N-[(E)-but-1-enyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-but-1-enyl]carbamate
PubChem CID18533380
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namemethyl N-[(E)-but-1-enyl]carbamate
SMILESCC/C=C/NC(=O)OC
InChIInChI=1S/C6H11NO2/c1-3-4-5-7-6(8)9-2/h4-5H,3H2,1-2H3,(H,7,8)/b5-4+
InChIKeyVNYMKQWNOUINQH-SNAWJCMRSA-N
XLogP1.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-but-1-enyl]carbamate?
The IUPAC name of methyl N-[(E)-but-1-enyl]carbamate (CID 18533380) is methyl N-[(E)-but-1-enyl]carbamate.
What is the SMILES notation for methyl N-[(E)-but-1-enyl]carbamate?
The canonical SMILES for methyl N-[(E)-but-1-enyl]carbamate is CC/C=C/NC(=O)OC.
What is the InChIKey of methyl N-[(E)-but-1-enyl]carbamate?
The InChIKey is VNYMKQWNOUINQH-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-4-5-7-6(8)9-2/h4-5H,3H2,1-2H3,(H,7,8)/b5-4+.
What are the key properties of methyl N-[(E)-but-1-enyl]carbamate?
methyl N-[(E)-but-1-enyl]carbamate has a molecular weight of 129.16 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-but-1-enyl]carbamate is sourced from PubChem (CID 18533380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).