(E,3E)-3-(3-methylidene-2-pyridinylidene)prop-1-en-1-amine

C9H10N2 — CID 89153869

IUPAC(E,3E)-3-(3-methylidene-2-pyridinylidene)prop-1-en-1-amine
SMILESC=c1cccn/c1=C/C=C/N
InChIInChI=1S/C9H10N2/c1-8-4-3-7-11-9(8)5-2-6-10/h2-7H,1,10H2/b6-2+,9-5+
InChIKeyPKCODBSQMYWQJL-VDESZNBCSA-N
MW146.19 g/mol
LogP-0.26
Rot. Bonds1

About (E,3E)-3-(3-methylidene-2-pyridinylidene)prop-1-en-1-amine

(E,3E)-3-(3-methylidene-2-pyridinylidene)prop-1-en-1-amine (PubChem CID 89153869) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (E,3E)-3-(3-methylidene-2-pyridinylidene)prop-1-en-1-amine.

Molecular Properties

Compound Name(E,3E)-3-(3-methylidene-2-pyridinylidene)prop-1-en-1-amine
PubChem CID89153869
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name(E,3E)-3-(3-methylidene-2-pyridinylidene)prop-1-en-1-amine
SMILESC=c1cccn/c1=C/C=C/N
InChIInChI=1S/C9H10N2/c1-8-4-3-7-11-9(8)5-2-6-10/h2-7H,1,10H2/b6-2+,9-5+
InChIKeyPKCODBSQMYWQJL-VDESZNBCSA-N
XLogP-0.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E,3E)-3-(3-methylidene-2-pyridinylidene)prop-1-en-1-amine?
The IUPAC name of (E,3E)-3-(3-methylidene-2-pyridinylidene)prop-1-en-1-amine (CID 89153869) is (E,3E)-3-(3-methylidene-2-pyridinylidene)prop-1-en-1-amine.
What is the SMILES notation for (E,3E)-3-(3-methylidene-2-pyridinylidene)prop-1-en-1-amine?
The canonical SMILES for (E,3E)-3-(3-methylidene-2-pyridinylidene)prop-1-en-1-amine is C=c1cccn/c1=C/C=C/N.
What is the InChIKey of (E,3E)-3-(3-methylidene-2-pyridinylidene)prop-1-en-1-amine?
The InChIKey is PKCODBSQMYWQJL-VDESZNBCSA-N. The full InChI is InChI=1S/C9H10N2/c1-8-4-3-7-11-9(8)5-2-6-10/h2-7H,1,10H2/b6-2+,9-5+.
What are the key properties of (E,3E)-3-(3-methylidene-2-pyridinylidene)prop-1-en-1-amine?
(E,3E)-3-(3-methylidene-2-pyridinylidene)prop-1-en-1-amine has a molecular weight of 146.19 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3E)-3-(3-methylidene-2-pyridinylidene)prop-1-en-1-amine is sourced from PubChem (CID 89153869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).