1-[2-[(Z)-2-amino-4-iminopent-2-en-3-yl]phenyl]ethanone

C13H16N2O — CID 143399236

IUPAC1-[2-[(Z)-2-amino-4-iminopent-2-en-3-yl]phenyl]ethanone
SMILES[H]/N=C(C)/C(=C(/C)N)c1ccccc1C(C)=O
InChIInChI=1S/C13H16N2O/c1-8(14)13(9(2)15)12-7-5-4-6-11(12)10(3)16/h4-7,14H,15H2,1-3H3/b13-9+,14-8+
InChIKeyDCKMPODXNNWNNM-UAUIHIKDSA-N
MW216.28 g/mol
LogP2.62
Rot. Bonds3

About 1-[2-[(Z)-2-amino-4-iminopent-2-en-3-yl]phenyl]ethanone

1-[2-[(Z)-2-amino-4-iminopent-2-en-3-yl]phenyl]ethanone (PubChem CID 143399236) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[2-[(Z)-2-amino-4-iminopent-2-en-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(Z)-2-amino-4-iminopent-2-en-3-yl]phenyl]ethanone
PubChem CID143399236
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-[2-[(Z)-2-amino-4-iminopent-2-en-3-yl]phenyl]ethanone
SMILES[H]/N=C(C)/C(=C(/C)N)c1ccccc1C(C)=O
InChIInChI=1S/C13H16N2O/c1-8(14)13(9(2)15)12-7-5-4-6-11(12)10(3)16/h4-7,14H,15H2,1-3H3/b13-9+,14-8+
InChIKeyDCKMPODXNNWNNM-UAUIHIKDSA-N
XLogP2.62
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[2-[(Z)-2-amino-4-iminopent-2-en-3-yl]phenyl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(Z)-2-amino-4-iminopent-2-en-3-yl]phenyl]ethanone?
The IUPAC name of 1-[2-[(Z)-2-amino-4-iminopent-2-en-3-yl]phenyl]ethanone (CID 143399236) is 1-[2-[(Z)-2-amino-4-iminopent-2-en-3-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(Z)-2-amino-4-iminopent-2-en-3-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-[(Z)-2-amino-4-iminopent-2-en-3-yl]phenyl]ethanone is [H]/N=C(C)/C(=C(/C)N)c1ccccc1C(C)=O.
What is the InChIKey of 1-[2-[(Z)-2-amino-4-iminopent-2-en-3-yl]phenyl]ethanone?
The InChIKey is DCKMPODXNNWNNM-UAUIHIKDSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8(14)13(9(2)15)12-7-5-4-6-11(12)10(3)16/h4-7,14H,15H2,1-3H3/b13-9+,14-8+.
What are the key properties of 1-[2-[(Z)-2-amino-4-iminopent-2-en-3-yl]phenyl]ethanone?
1-[2-[(Z)-2-amino-4-iminopent-2-en-3-yl]phenyl]ethanone has a molecular weight of 216.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(Z)-2-amino-4-iminopent-2-en-3-yl]phenyl]ethanone is sourced from PubChem (CID 143399236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).