(2E)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one

C15H11NO — CID 6526506

IUPAC(2E)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one
SMILESO=C1/C(=C/c2ccccn2)Cc2ccccc21
InChIInChI=1S/C15H11NO/c17-15-12(10-13-6-3-4-8-16-13)9-11-5-1-2-7-14(11)15/h1-8,10H,9H2/b12-10+
InChIKeySQKDIBYWOIDSOX-ZRDIBKRKSA-N
MW221.26 g/mol
LogP2.90
Rot. Bonds1

About (2E)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one

(2E)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one (PubChem CID 6526506) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is (2E)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one.

Molecular Properties

Compound Name(2E)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one
PubChem CID6526506
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name(2E)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one
SMILESO=C1/C(=C/c2ccccn2)Cc2ccccc21
InChIInChI=1S/C15H11NO/c17-15-12(10-13-6-3-4-8-16-13)9-11-5-1-2-7-14(11)15/h1-8,10H,9H2/b12-10+
InChIKeySQKDIBYWOIDSOX-ZRDIBKRKSA-N
XLogP2.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Benzoylpyridine
CID 26731
Phenyl-3-pyridinylmethanone
CID 21540
2-Benzoylpyridine
CID 7038
(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
2-(Pyridin-2-yl)-1H-indene-1,3(2H)-dione
CID 238065
3-Acetyl-6-methylpyridine
CID 95292
Prt-4165
CID 207893
2-Acetyl-4-methylpyridine
CID 564760
Onychine
CID 72584
1-Isoquinolinyl phenyl ketone
CID 280081
2-Phenyl-1-(pyridin-2-yl)ethan-1-one
CID 256073
1-Phenyl-2-(4-pyridinyl)ethanone
CID 287104

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one?
The IUPAC name of (2E)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one (CID 6526506) is (2E)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one.
What is the SMILES notation for (2E)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one?
The canonical SMILES for (2E)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one is O=C1/C(=C/c2ccccn2)Cc2ccccc21.
What is the InChIKey of (2E)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one?
The InChIKey is SQKDIBYWOIDSOX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H11NO/c17-15-12(10-13-6-3-4-8-16-13)9-11-5-1-2-7-14(11)15/h1-8,10H,9H2/b12-10+.
What are the key properties of (2E)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one?
(2E)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one has a molecular weight of 221.26 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one is sourced from PubChem (CID 6526506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).