methyl N-[2-(but-3-enylamino)-2-oxoethyl]carbamate

C8H14N2O3 — CID 123759246

IUPACmethyl N-[2-(but-3-enylamino)-2-oxoethyl]carbamate
SMILESC=CCCNC(=O)CNC(=O)OC
InChIInChI=1S/C8H14N2O3/c1-3-4-5-9-7(11)6-10-8(12)13-2/h3H,1,4-6H2,2H3,(H,9,11)(H,10,12)
InChIKeyCCVHYWAKAOMIJE-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.03
Rot. Bonds5

About methyl N-[2-(but-3-enylamino)-2-oxoethyl]carbamate

methyl N-[2-(but-3-enylamino)-2-oxoethyl]carbamate (PubChem CID 123759246) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl N-[2-(but-3-enylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(but-3-enylamino)-2-oxoethyl]carbamate
PubChem CID123759246
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Namemethyl N-[2-(but-3-enylamino)-2-oxoethyl]carbamate
SMILESC=CCCNC(=O)CNC(=O)OC
InChIInChI=1S/C8H14N2O3/c1-3-4-5-9-7(11)6-10-8(12)13-2/h3H,1,4-6H2,2H3,(H,9,11)(H,10,12)
InChIKeyCCVHYWAKAOMIJE-UHFFFAOYSA-N
XLogP0.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(but-3-enylamino)-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-(but-3-enylamino)-2-oxoethyl]carbamate (CID 123759246) is methyl N-[2-(but-3-enylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-(but-3-enylamino)-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-(but-3-enylamino)-2-oxoethyl]carbamate is C=CCCNC(=O)CNC(=O)OC.
What is the InChIKey of methyl N-[2-(but-3-enylamino)-2-oxoethyl]carbamate?
The InChIKey is CCVHYWAKAOMIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-3-4-5-9-7(11)6-10-8(12)13-2/h3H,1,4-6H2,2H3,(H,9,11)(H,10,12).
What are the key properties of methyl N-[2-(but-3-enylamino)-2-oxoethyl]carbamate?
methyl N-[2-(but-3-enylamino)-2-oxoethyl]carbamate has a molecular weight of 186.21 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(but-3-enylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 123759246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).