4-prop-2-enylpyridine-3-carbaldehyde

C9H9NO — CID 11309589

IUPAC4-prop-2-enylpyridine-3-carbaldehyde
SMILESC=CCc1ccncc1C=O
InChIInChI=1S/C9H9NO/c1-2-3-8-4-5-10-6-9(8)7-11/h2,4-7H,1,3H2
InChIKeyMUSULVDPALNXON-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.62
Rot. Bonds3

About 4-prop-2-enylpyridine-3-carbaldehyde

4-prop-2-enylpyridine-3-carbaldehyde (PubChem CID 11309589) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 4-prop-2-enylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-prop-2-enylpyridine-3-carbaldehyde
PubChem CID11309589
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name4-prop-2-enylpyridine-3-carbaldehyde
SMILESC=CCc1ccncc1C=O
InChIInChI=1S/C9H9NO/c1-2-3-8-4-5-10-6-9(8)7-11/h2,4-7H,1,3H2
InChIKeyMUSULVDPALNXON-UHFFFAOYSA-N
XLogP1.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylpyridine-3-carbaldehyde?
The IUPAC name of 4-prop-2-enylpyridine-3-carbaldehyde (CID 11309589) is 4-prop-2-enylpyridine-3-carbaldehyde.
What is the SMILES notation for 4-prop-2-enylpyridine-3-carbaldehyde?
The canonical SMILES for 4-prop-2-enylpyridine-3-carbaldehyde is C=CCc1ccncc1C=O.
What is the InChIKey of 4-prop-2-enylpyridine-3-carbaldehyde?
The InChIKey is MUSULVDPALNXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-2-3-8-4-5-10-6-9(8)7-11/h2,4-7H,1,3H2.
What are the key properties of 4-prop-2-enylpyridine-3-carbaldehyde?
4-prop-2-enylpyridine-3-carbaldehyde has a molecular weight of 147.18 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylpyridine-3-carbaldehyde is sourced from PubChem (CID 11309589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).