(Z)-4-(1-aminoethenylamino)-3-methylpent-3-en-2-one

C8H14N2O — CID 145026406

IUPAC(Z)-4-(1-aminoethenylamino)-3-methylpent-3-en-2-one
SMILESC=C(N)N/C(C)=C(/C)C(C)=O
InChIInChI=1S/C8H14N2O/c1-5(7(3)11)6(2)10-8(4)9/h10H,4,9H2,1-3H3/b6-5-
InChIKeyJSTWYEAOCAIVKU-WAYWQWQTSA-N
MW154.21 g/mol
LogP0.89
Rot. Bonds3

About (Z)-4-(1-aminoethenylamino)-3-methylpent-3-en-2-one

(Z)-4-(1-aminoethenylamino)-3-methylpent-3-en-2-one (PubChem CID 145026406) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (Z)-4-(1-aminoethenylamino)-3-methylpent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(1-aminoethenylamino)-3-methylpent-3-en-2-one
PubChem CID145026406
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(Z)-4-(1-aminoethenylamino)-3-methylpent-3-en-2-one
SMILESC=C(N)N/C(C)=C(/C)C(C)=O
InChIInChI=1S/C8H14N2O/c1-5(7(3)11)6(2)10-8(4)9/h10H,4,9H2,1-3H3/b6-5-
InChIKeyJSTWYEAOCAIVKU-WAYWQWQTSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-4-(1-aminoethenylamino)-3-methylpent-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-(methylamino)pent-3-en-2-one
CID 20584278
1-aminoethenylcarbamic acid
CID 87700799
1-N'-[(2E,6Z)-3-methyl-4-methyliminoocta-2,6-dien-2-yl]ethene-1,1-diamine
CID 167207239
3-fluorobut-3-en-2-one
CID 158766969
(Z)-2-N-(1-aminoethenyl)prop-1-ene-1,2-diamine
CID 146561035
N-methylmethanamine;2-methylprop-2-enamide
CID 87110078
acetamide;2-methoxyprop-1-ene;2-methylprop-1-ene
CID 165093716
bis(3-aminobut-3-en-2-one);ethane;propane
CID 160805847
2-methylprop-2-enamide;hydrate
CID 88749193
acetamide
CID 139024037
1-N'-but-1-en-2-ylethene-1,1-diamine
CID 166131853
acetamide;bis(N-methylmethanamine)
CID 172694142

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(1-aminoethenylamino)-3-methylpent-3-en-2-one?
The IUPAC name of (Z)-4-(1-aminoethenylamino)-3-methylpent-3-en-2-one (CID 145026406) is (Z)-4-(1-aminoethenylamino)-3-methylpent-3-en-2-one.
What is the SMILES notation for (Z)-4-(1-aminoethenylamino)-3-methylpent-3-en-2-one?
The canonical SMILES for (Z)-4-(1-aminoethenylamino)-3-methylpent-3-en-2-one is C=C(N)N/C(C)=C(/C)C(C)=O.
What is the InChIKey of (Z)-4-(1-aminoethenylamino)-3-methylpent-3-en-2-one?
The InChIKey is JSTWYEAOCAIVKU-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5(7(3)11)6(2)10-8(4)9/h10H,4,9H2,1-3H3/b6-5-.
What are the key properties of (Z)-4-(1-aminoethenylamino)-3-methylpent-3-en-2-one?
(Z)-4-(1-aminoethenylamino)-3-methylpent-3-en-2-one has a molecular weight of 154.21 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(1-aminoethenylamino)-3-methylpent-3-en-2-one is sourced from PubChem (CID 145026406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).