(2Z)-2-(pyridin-2-ylmethylidene)hexanal

C12H15NO — CID 88508885

IUPAC(2Z)-2-(pyridin-2-ylmethylidene)hexanal
SMILESCCCC/C(C=O)=C/c1ccccn1
InChIInChI=1S/C12H15NO/c1-2-3-6-11(10-14)9-12-7-4-5-8-13-12/h4-5,7-10H,2-3,6H2,1H3/b11-9-
InChIKeyHIHXHETZIWBGPN-LUAWRHEFSA-N
MW189.26 g/mol
LogP2.85
Rot. Bonds5

About (2Z)-2-(pyridin-2-ylmethylidene)hexanal

(2Z)-2-(pyridin-2-ylmethylidene)hexanal (PubChem CID 88508885) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (2Z)-2-(pyridin-2-ylmethylidene)hexanal.

Molecular Properties

Compound Name(2Z)-2-(pyridin-2-ylmethylidene)hexanal
PubChem CID88508885
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(2Z)-2-(pyridin-2-ylmethylidene)hexanal
SMILESCCCC/C(C=O)=C/c1ccccn1
InChIInChI=1S/C12H15NO/c1-2-3-6-11(10-14)9-12-7-4-5-8-13-12/h4-5,7-10H,2-3,6H2,1H3/b11-9-
InChIKeyHIHXHETZIWBGPN-LUAWRHEFSA-N
XLogP2.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-(pyridin-2-ylmethylidene)pentanedioic acid
CID 82158727
2-(pyridin-3-ylmethylidene)hexanal
CID 54164984
2-ethenylpyridine;hexanoic acid
CID 175076287
methyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate
CID 173269721
N'-(2-pyridin-2-ylacetyl)pentanehydrazide
CID 91075847
(Z)-2-chloro-3-pyridin-2-ylprop-2-enal
CID 12946087
(E)-2-(dimethylamino)-3-pyridin-2-ylprop-2-enal
CID 173269986
2-(methylamino)-3-pyridin-2-ylprop-2-enal
CID 173269525
(E)-N-(3-oxo-1-pyridin-2-ylprop-1-en-2-yl)but-2-enamide
CID 173269903
(2E)-2-[(2-methylphenyl)methylidene]nonanal
CID 118666956
ethyl (E)-2-amino-3-pyridin-2-ylprop-2-enoate
CID 134275499
(2E)-2-(1-benzothiophen-2-ylmethylidene)hexanal
CID 10824222

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(pyridin-2-ylmethylidene)hexanal?
The IUPAC name of (2Z)-2-(pyridin-2-ylmethylidene)hexanal (CID 88508885) is (2Z)-2-(pyridin-2-ylmethylidene)hexanal.
What is the SMILES notation for (2Z)-2-(pyridin-2-ylmethylidene)hexanal?
The canonical SMILES for (2Z)-2-(pyridin-2-ylmethylidene)hexanal is CCCC/C(C=O)=C/c1ccccn1.
What is the InChIKey of (2Z)-2-(pyridin-2-ylmethylidene)hexanal?
The InChIKey is HIHXHETZIWBGPN-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-3-6-11(10-14)9-12-7-4-5-8-13-12/h4-5,7-10H,2-3,6H2,1H3/b11-9-.
What are the key properties of (2Z)-2-(pyridin-2-ylmethylidene)hexanal?
(2Z)-2-(pyridin-2-ylmethylidene)hexanal has a molecular weight of 189.26 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(pyridin-2-ylmethylidene)hexanal is sourced from PubChem (CID 88508885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).