4-[bis(prop-2-enyl)amino]-4-oxobutanoate

C10H14NO3- — CID 20583722

IUPAC4-[bis(prop-2-enyl)amino]-4-oxobutanoate
SMILESC=CCN(CC=C)C(=O)CCC(=O)[O-]
InChIInChI=1S/C10H15NO3/c1-3-7-11(8-4-2)9(12)5-6-10(13)14/h3-4H,1-2,5-8H2,(H,13,14)/p-1
InChIKeyNZUSIWMSTXWXDW-UHFFFAOYSA-M
MW196.23 g/mol
LogP-0.28
Rot. Bonds7

About 4-[bis(prop-2-enyl)amino]-4-oxobutanoate

4-[bis(prop-2-enyl)amino]-4-oxobutanoate (PubChem CID 20583722) has the molecular formula C10H14NO3- and a molecular weight of 196.23 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Name4-[bis(prop-2-enyl)amino]-4-oxobutanoate
PubChem CID20583722
Molecular FormulaC10H14NO3-
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name4-[bis(prop-2-enyl)amino]-4-oxobutanoate
SMILESC=CCN(CC=C)C(=O)CCC(=O)[O-]
InChIInChI=1S/C10H15NO3/c1-3-7-11(8-4-2)9(12)5-6-10(13)14/h3-4H,1-2,5-8H2,(H,13,14)/p-1
InChIKeyNZUSIWMSTXWXDW-UHFFFAOYSA-M
XLogP-0.28
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(prop-2-enyl)amino]-4-oxobutanoate?
The IUPAC name of 4-[bis(prop-2-enyl)amino]-4-oxobutanoate (CID 20583722) is 4-[bis(prop-2-enyl)amino]-4-oxobutanoate.
What is the SMILES notation for 4-[bis(prop-2-enyl)amino]-4-oxobutanoate?
The canonical SMILES for 4-[bis(prop-2-enyl)amino]-4-oxobutanoate is C=CCN(CC=C)C(=O)CCC(=O)[O-].
What is the InChIKey of 4-[bis(prop-2-enyl)amino]-4-oxobutanoate?
The InChIKey is NZUSIWMSTXWXDW-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H15NO3/c1-3-7-11(8-4-2)9(12)5-6-10(13)14/h3-4H,1-2,5-8H2,(H,13,14)/p-1.
What are the key properties of 4-[bis(prop-2-enyl)amino]-4-oxobutanoate?
4-[bis(prop-2-enyl)amino]-4-oxobutanoate has a molecular weight of 196.23 g/mol, XLogP of -0.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(prop-2-enyl)amino]-4-oxobutanoate is sourced from PubChem (CID 20583722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).