(2Z,4E)-2-formyl-5-piperidin-1-ylpenta-2,4-dienenitrile

C11H14N2O — CID 12621934

IUPAC(2Z,4E)-2-formyl-5-piperidin-1-ylpenta-2,4-dienenitrile
SMILESN#C/C(C=O)=C/C=C/N1CCCCC1
InChIInChI=1S/C11H14N2O/c12-9-11(10-14)5-4-8-13-6-2-1-3-7-13/h4-5,8,10H,1-3,6-7H2/b8-4+,11-5-
InChIKeyKTYNZNFKXQQHST-XEJYMXSFSA-N
MW190.25 g/mol
LogP1.63
Rot. Bonds3

About (2Z,4E)-2-formyl-5-piperidin-1-ylpenta-2,4-dienenitrile

(2Z,4E)-2-formyl-5-piperidin-1-ylpenta-2,4-dienenitrile (PubChem CID 12621934) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (2Z,4E)-2-formyl-5-piperidin-1-ylpenta-2,4-dienenitrile.

Molecular Properties

Compound Name(2Z,4E)-2-formyl-5-piperidin-1-ylpenta-2,4-dienenitrile
PubChem CID12621934
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(2Z,4E)-2-formyl-5-piperidin-1-ylpenta-2,4-dienenitrile
SMILESN#C/C(C=O)=C/C=C/N1CCCCC1
InChIInChI=1S/C11H14N2O/c12-9-11(10-14)5-4-8-13-6-2-1-3-7-13/h4-5,8,10H,1-3,6-7H2/b8-4+,11-5-
InChIKeyKTYNZNFKXQQHST-XEJYMXSFSA-N
XLogP1.63
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-3-(azepan-1-yl)prop-2-enylidene]propanedinitrile
CID 171376716
(1E,3E)-1-cyano-4-piperidin-1-ylbuta-1,3-diene-1-sulfinic acid
CID 89325349
2-methylsulfonyl-5-piperidin-1-ylpenta-2,4-dienenitrile
CID 71359992
(E)-3-(azocan-1-yl)prop-2-enal
CID 177399343
octyl (2Z,4E)-2-cyano-5-piperidin-1-ylpenta-2,4-dienoate
CID 88900524
(Z)-3-cyclohexyl-2-formylprop-2-enenitrile
CID 102094213
propan-2-yl 2-cyano-5-[4-(4-cyano-5-oxo-5-propan-2-yloxypenta-1,3-dienyl)piperazin-1-yl]penta-2,4-dienoate
CID 123940361
1-[(1E,3E)-4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine;chloride;hydrate
CID 21116682
1-[(1E,3E)-5-(azepan-1-ium-1-ylidene)-4-methylpenta-1,3-dienyl]azepane chloride
CID 6434856
(E)-3-piperidin-1-ylprop-2-enoic acid
CID 21292232
1-[(E)-prop-1-enyl]piperidine
CID 5463479
1-[(E)-but-1-en-3-ynyl]pyrrolidine
CID 21122286

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-formyl-5-piperidin-1-ylpenta-2,4-dienenitrile?
The IUPAC name of (2Z,4E)-2-formyl-5-piperidin-1-ylpenta-2,4-dienenitrile (CID 12621934) is (2Z,4E)-2-formyl-5-piperidin-1-ylpenta-2,4-dienenitrile.
What is the SMILES notation for (2Z,4E)-2-formyl-5-piperidin-1-ylpenta-2,4-dienenitrile?
The canonical SMILES for (2Z,4E)-2-formyl-5-piperidin-1-ylpenta-2,4-dienenitrile is N#C/C(C=O)=C/C=C/N1CCCCC1.
What is the InChIKey of (2Z,4E)-2-formyl-5-piperidin-1-ylpenta-2,4-dienenitrile?
The InChIKey is KTYNZNFKXQQHST-XEJYMXSFSA-N. The full InChI is InChI=1S/C11H14N2O/c12-9-11(10-14)5-4-8-13-6-2-1-3-7-13/h4-5,8,10H,1-3,6-7H2/b8-4+,11-5-.
What are the key properties of (2Z,4E)-2-formyl-5-piperidin-1-ylpenta-2,4-dienenitrile?
(2Z,4E)-2-formyl-5-piperidin-1-ylpenta-2,4-dienenitrile has a molecular weight of 190.25 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-formyl-5-piperidin-1-ylpenta-2,4-dienenitrile is sourced from PubChem (CID 12621934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).