2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde

C10H13NO — CID 142220932

IUPAC2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde
SMILESCC/C=C1/C=CC=CN1CC=O
InChIInChI=1S/C10H13NO/c1-2-5-10-6-3-4-7-11(10)8-9-12/h3-7,9H,2,8H2,1H3/b10-5-
InChIKeyLPHGOLFSFBGKQP-YHYXMXQVSA-N
MW163.22 g/mol
LogP1.86
Rot. Bonds3

About 2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde

2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde (PubChem CID 142220932) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde.

Molecular Properties

Compound Name2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde
PubChem CID142220932
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde
SMILESCC/C=C1/C=CC=CN1CC=O
InChIInChI=1S/C10H13NO/c1-2-5-10-6-3-4-7-11(10)8-9-12/h3-7,9H,2,8H2,1H3/b10-5-
InChIKeyLPHGOLFSFBGKQP-YHYXMXQVSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde?
The IUPAC name of 2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde (CID 142220932) is 2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde.
What is the SMILES notation for 2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde?
The canonical SMILES for 2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde is CC/C=C1/C=CC=CN1CC=O.
What is the InChIKey of 2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde?
The InChIKey is LPHGOLFSFBGKQP-YHYXMXQVSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-5-10-6-3-4-7-11(10)8-9-12/h3-7,9H,2,8H2,1H3/b10-5-.
What are the key properties of 2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde?
2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde has a molecular weight of 163.22 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde is sourced from PubChem (CID 142220932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).