but-2-ene;ethene;pyridine-2-carbaldehyde

C12H17NO — CID 142875353

IUPACbut-2-ene;ethene;pyridine-2-carbaldehyde
SMILESC=C.CC=CC.O=Cc1ccccn1
InChIInChI=1S/C6H5NO.C4H8.C2H4/c8-5-6-3-1-2-4-7-6;1-3-4-2;1-2/h1-5H;3-4H,1-2H3;1-2H2
InChIKeyGILJQPQMTTZOKM-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.28
Rot. Bonds1

About but-2-ene;ethene;pyridine-2-carbaldehyde

but-2-ene;ethene;pyridine-2-carbaldehyde (PubChem CID 142875353) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is but-2-ene;ethene;pyridine-2-carbaldehyde.

Molecular Properties

Compound Namebut-2-ene;ethene;pyridine-2-carbaldehyde
PubChem CID142875353
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Namebut-2-ene;ethene;pyridine-2-carbaldehyde
SMILESC=C.CC=CC.O=Cc1ccccn1
InChIInChI=1S/C6H5NO.C4H8.C2H4/c8-5-6-3-1-2-4-7-6;1-3-4-2;1-2/h1-5H;3-4H,1-2H3;1-2H2
InChIKeyGILJQPQMTTZOKM-UHFFFAOYSA-N
XLogP3.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.28
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 but-2-ene;ethene;pyridine-2-carbaldehyde?
The IUPAC name of but-2-ene;ethene;pyridine-2-carbaldehyde (CID 142875353) is but-2-ene;ethene;pyridine-2-carbaldehyde.
What is the SMILES notation for but-2-ene;ethene;pyridine-2-carbaldehyde?
The canonical SMILES for but-2-ene;ethene;pyridine-2-carbaldehyde is C=C.CC=CC.O=Cc1ccccn1.
What is the InChIKey of but-2-ene;ethene;pyridine-2-carbaldehyde?
The InChIKey is GILJQPQMTTZOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO.C4H8.C2H4/c8-5-6-3-1-2-4-7-6;1-3-4-2;1-2/h1-5H;3-4H,1-2H3;1-2H2.
What are the key properties of but-2-ene;ethene;pyridine-2-carbaldehyde?
but-2-ene;ethene;pyridine-2-carbaldehyde has a molecular weight of 191.27 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene;ethene;pyridine-2-carbaldehyde is sourced from PubChem (CID 142875353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).