(E)-6-pyridin-2-ylhex-5-enal

C11H13NO — CID 10464818

IUPAC(E)-6-pyridin-2-ylhex-5-enal
SMILESO=CCCC/C=C/c1ccccn1
InChIInChI=1S/C11H13NO/c13-10-6-2-1-3-7-11-8-4-5-9-12-11/h3-5,7-10H,1-2,6H2/b7-3+
InChIKeyGXRXAUBIINAADV-XVNBXDOJSA-N
MW175.23 g/mol
LogP2.46
Rot. Bonds5

About (E)-6-pyridin-2-ylhex-5-enal

(E)-6-pyridin-2-ylhex-5-enal (PubChem CID 10464818) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (E)-6-pyridin-2-ylhex-5-enal.

Molecular Properties

Compound Name(E)-6-pyridin-2-ylhex-5-enal
PubChem CID10464818
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(E)-6-pyridin-2-ylhex-5-enal
SMILESO=CCCC/C=C/c1ccccn1
InChIInChI=1S/C11H13NO/c13-10-6-2-1-3-7-11-8-4-5-9-12-11/h3-5,7-10H,1-2,6H2/b7-3+
InChIKeyGXRXAUBIINAADV-XVNBXDOJSA-N
XLogP2.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-5-phenylpent-1-enyl]pyridine
CID 132566221
2-[(E)-dodec-1-enyl]pyridine
CID 166438666
2-[(Z)-pent-1-enyl]pyridine
CID 45079869
2-[(E)-4-phenylbut-1-enyl]pyridine
CID 68904767
2-(4-phenylbut-1-enyl)pyridine
CID 68904769
(Z)-6-(1-tritylimidazol-4-yl)hex-5-enal
CID 59032666
4-pyridin-2-ylbut-3-enamide
CID 170797301
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
formaldehyde;pyridine-2-carbaldehyde
CID 161262172
2-penta-1,4-dienylpyridine
CID 66927735
5-pyridin-2-ylpentanal
CID 13416615
tetrakis(benzene-1,2-diol);bis(2-[(E)-2-pyridin-2-ylethenyl]pyridine)
CID 139185658

Frequently Asked Questions

What is the IUPAC name of (E)-6-pyridin-2-ylhex-5-enal?
The IUPAC name of (E)-6-pyridin-2-ylhex-5-enal (CID 10464818) is (E)-6-pyridin-2-ylhex-5-enal.
What is the SMILES notation for (E)-6-pyridin-2-ylhex-5-enal?
The canonical SMILES for (E)-6-pyridin-2-ylhex-5-enal is O=CCCC/C=C/c1ccccn1.
What is the InChIKey of (E)-6-pyridin-2-ylhex-5-enal?
The InChIKey is GXRXAUBIINAADV-XVNBXDOJSA-N. The full InChI is InChI=1S/C11H13NO/c13-10-6-2-1-3-7-11-8-4-5-9-12-11/h3-5,7-10H,1-2,6H2/b7-3+.
What are the key properties of (E)-6-pyridin-2-ylhex-5-enal?
(E)-6-pyridin-2-ylhex-5-enal has a molecular weight of 175.23 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-pyridin-2-ylhex-5-enal is sourced from PubChem (CID 10464818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).