(3Z,5Z)-2-methylidene-7H-oxonino[2,3-c]pyridine

C12H11NO — CID 134590820

IUPAC(3Z,5Z)-2-methylidene-7H-oxonino[2,3-c]pyridine
SMILESC=C1/C=C\C=C/Cc2ccncc2O1
InChIInChI=1S/C12H11NO/c1-10-5-3-2-4-6-11-7-8-13-9-12(11)14-10/h2-5,7-9H,1,6H2/b4-2-,5-3-
InChIKeyHLRUAGKRAVWSQW-JVLMNHKTSA-N
MW185.23 g/mol
LogP2.64
Rot. Bonds

About (3Z,5Z)-2-methylidene-7H-oxonino[2,3-c]pyridine

(3Z,5Z)-2-methylidene-7H-oxonino[2,3-c]pyridine (PubChem CID 134590820) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is (3Z,5Z)-2-methylidene-7H-oxonino[2,3-c]pyridine.

Molecular Properties

Compound Name(3Z,5Z)-2-methylidene-7H-oxonino[2,3-c]pyridine
PubChem CID134590820
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name(3Z,5Z)-2-methylidene-7H-oxonino[2,3-c]pyridine
SMILESC=C1/C=C\C=C/Cc2ccncc2O1
InChIInChI=1S/C12H11NO/c1-10-5-3-2-4-6-11-7-8-13-9-12(11)14-10/h2-5,7-9H,1,6H2/b4-2-,5-3-
InChIKeyHLRUAGKRAVWSQW-JVLMNHKTSA-N
XLogP2.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-2-methylidene-7H-oxonino[2,3-c]pyridine?
The IUPAC name of (3Z,5Z)-2-methylidene-7H-oxonino[2,3-c]pyridine (CID 134590820) is (3Z,5Z)-2-methylidene-7H-oxonino[2,3-c]pyridine.
What is the SMILES notation for (3Z,5Z)-2-methylidene-7H-oxonino[2,3-c]pyridine?
The canonical SMILES for (3Z,5Z)-2-methylidene-7H-oxonino[2,3-c]pyridine is C=C1/C=C\C=C/Cc2ccncc2O1.
What is the InChIKey of (3Z,5Z)-2-methylidene-7H-oxonino[2,3-c]pyridine?
The InChIKey is HLRUAGKRAVWSQW-JVLMNHKTSA-N. The full InChI is InChI=1S/C12H11NO/c1-10-5-3-2-4-6-11-7-8-13-9-12(11)14-10/h2-5,7-9H,1,6H2/b4-2-,5-3-.
What are the key properties of (3Z,5Z)-2-methylidene-7H-oxonino[2,3-c]pyridine?
(3Z,5Z)-2-methylidene-7H-oxonino[2,3-c]pyridine has a molecular weight of 185.23 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2-methylidene-7H-oxonino[2,3-c]pyridine is sourced from PubChem (CID 134590820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).