(Z)-3-phenyliminoprop-1-en-1-amine

C9H10N2 — CID 118014655

IUPAC(Z)-3-phenyliminoprop-1-en-1-amine
SMILESN/C=C\C=N\c1ccccc1
InChIInChI=1S/C9H10N2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-8H,10H2/b7-4-,11-8+
InChIKeyHOARROPFELPGMN-AFDHTILLSA-N
MW146.19 g/mol
LogP1.86
Rot. Bonds2

About (Z)-3-phenyliminoprop-1-en-1-amine

(Z)-3-phenyliminoprop-1-en-1-amine (PubChem CID 118014655) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (Z)-3-phenyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-phenyliminoprop-1-en-1-amine
PubChem CID118014655
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name(Z)-3-phenyliminoprop-1-en-1-amine
SMILESN/C=C\C=N\c1ccccc1
InChIInChI=1S/C9H10N2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-8H,10H2/b7-4-,11-8+
InChIKeyHOARROPFELPGMN-AFDHTILLSA-N
XLogP1.86
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-phenyliminoprop-1-en-1-amine?
The IUPAC name of (Z)-3-phenyliminoprop-1-en-1-amine (CID 118014655) is (Z)-3-phenyliminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-phenyliminoprop-1-en-1-amine?
The canonical SMILES for (Z)-3-phenyliminoprop-1-en-1-amine is N/C=C\C=N\c1ccccc1.
What is the InChIKey of (Z)-3-phenyliminoprop-1-en-1-amine?
The InChIKey is HOARROPFELPGMN-AFDHTILLSA-N. The full InChI is InChI=1S/C9H10N2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-8H,10H2/b7-4-,11-8+.
What are the key properties of (Z)-3-phenyliminoprop-1-en-1-amine?
(Z)-3-phenyliminoprop-1-en-1-amine has a molecular weight of 146.19 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-phenyliminoprop-1-en-1-amine is sourced from PubChem (CID 118014655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).