(Z)-1-[(4-methylidene-3-pyridinylidene)amino]prop-1-en-2-amine

C9H11N3 — CID 89217042

IUPAC(Z)-1-[(4-methylidene-3-pyridinylidene)amino]prop-1-en-2-amine
SMILESC=C1C=CN=C/C1=N\C=C(\C)N
InChIInChI=1S/C9H11N3/c1-7-3-4-11-6-9(7)12-5-8(2)10/h3-6H,1,10H2,2H3/b8-5-,12-9+
InChIKeyPPQZFMUWTZLXGU-JWAJRPJHSA-N
MW161.21 g/mol
LogP1.40
Rot. Bonds1

About (Z)-1-[(4-methylidene-3-pyridinylidene)amino]prop-1-en-2-amine

(Z)-1-[(4-methylidene-3-pyridinylidene)amino]prop-1-en-2-amine (PubChem CID 89217042) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is (Z)-1-[(4-methylidene-3-pyridinylidene)amino]prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[(4-methylidene-3-pyridinylidene)amino]prop-1-en-2-amine
PubChem CID89217042
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name(Z)-1-[(4-methylidene-3-pyridinylidene)amino]prop-1-en-2-amine
SMILESC=C1C=CN=C/C1=N\C=C(\C)N
InChIInChI=1S/C9H11N3/c1-7-3-4-11-6-9(7)12-5-8(2)10/h3-6H,1,10H2,2H3/b8-5-,12-9+
InChIKeyPPQZFMUWTZLXGU-JWAJRPJHSA-N
XLogP1.40
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-1-[(4-methylidene-3-pyridinylidene)amino]prop-1-en-2-amine?
The IUPAC name of (Z)-1-[(4-methylidene-3-pyridinylidene)amino]prop-1-en-2-amine (CID 89217042) is (Z)-1-[(4-methylidene-3-pyridinylidene)amino]prop-1-en-2-amine.
What is the SMILES notation for (Z)-1-[(4-methylidene-3-pyridinylidene)amino]prop-1-en-2-amine?
The canonical SMILES for (Z)-1-[(4-methylidene-3-pyridinylidene)amino]prop-1-en-2-amine is C=C1C=CN=C/C1=N\C=C(\C)N.
What is the InChIKey of (Z)-1-[(4-methylidene-3-pyridinylidene)amino]prop-1-en-2-amine?
The InChIKey is PPQZFMUWTZLXGU-JWAJRPJHSA-N. The full InChI is InChI=1S/C9H11N3/c1-7-3-4-11-6-9(7)12-5-8(2)10/h3-6H,1,10H2,2H3/b8-5-,12-9+.
What are the key properties of (Z)-1-[(4-methylidene-3-pyridinylidene)amino]prop-1-en-2-amine?
(Z)-1-[(4-methylidene-3-pyridinylidene)amino]prop-1-en-2-amine has a molecular weight of 161.21 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(4-methylidene-3-pyridinylidene)amino]prop-1-en-2-amine is sourced from PubChem (CID 89217042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).