(1Z)-1-methoxybuta-1,3-diene;2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde

C15H21NO2 — CID 142220931

IUPAC(1Z)-1-methoxybuta-1,3-diene;2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde
SMILESC=C/C=C\OC.CC/C=C1/C=CC=CN1CC=O
InChIInChI=1S/C10H13NO.C5H8O/c1-2-5-10-6-3-4-7-11(10)8-9-12;1-3-4-5-6-2/h3-7,9H,2,8H2,1H3;3-5H,1H2,2H3/b10-5-;5-4-
InChIKeyVGXVVRUROGQFRR-HYGJUWNWSA-N
MW247.34 g/mol
LogP3.20
Rot. Bonds5

About (1Z)-1-methoxybuta-1,3-diene;2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde

(1Z)-1-methoxybuta-1,3-diene;2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde (PubChem CID 142220931) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (1Z)-1-methoxybuta-1,3-diene;2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde.

Molecular Properties

Compound Name(1Z)-1-methoxybuta-1,3-diene;2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde
PubChem CID142220931
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(1Z)-1-methoxybuta-1,3-diene;2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde
SMILESC=C/C=C\OC.CC/C=C1/C=CC=CN1CC=O
InChIInChI=1S/C10H13NO.C5H8O/c1-2-5-10-6-3-4-7-11(10)8-9-12;1-3-4-5-6-2/h3-7,9H,2,8H2,1H3;3-5H,1H2,2H3/b10-5-;5-4-
InChIKeyVGXVVRUROGQFRR-HYGJUWNWSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-1-methyl-2H-pyridine-2-carbaldehyde
CID 117665493
6-methoxy-1-methyl-2H-pyridine-2-carbaldehyde
CID 131734644
1-ethyl-2H-pyridine-2-carbaldehyde
CID 141114392
1-(2-methoxyethyl)-2H-pyridine-2-carbaldehyde
CID 174951481
2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde
CID 142220932
(Z)-2-(2-butan-2-ylidene-1-pyridinyl)but-2-enal
CID 165143464

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-methoxybuta-1,3-diene;2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde?
The IUPAC name of (1Z)-1-methoxybuta-1,3-diene;2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde (CID 142220931) is (1Z)-1-methoxybuta-1,3-diene;2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde.
What is the SMILES notation for (1Z)-1-methoxybuta-1,3-diene;2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde?
The canonical SMILES for (1Z)-1-methoxybuta-1,3-diene;2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde is C=C/C=C\OC.CC/C=C1/C=CC=CN1CC=O.
What is the InChIKey of (1Z)-1-methoxybuta-1,3-diene;2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde?
The InChIKey is VGXVVRUROGQFRR-HYGJUWNWSA-N. The full InChI is InChI=1S/C10H13NO.C5H8O/c1-2-5-10-6-3-4-7-11(10)8-9-12;1-3-4-5-6-2/h3-7,9H,2,8H2,1H3;3-5H,1H2,2H3/b10-5-;5-4-.
What are the key properties of (1Z)-1-methoxybuta-1,3-diene;2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde?
(1Z)-1-methoxybuta-1,3-diene;2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde has a molecular weight of 247.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-methoxybuta-1,3-diene;2-[(2Z)-2-propylidene-1-pyridinyl]acetaldehyde is sourced from PubChem (CID 142220931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).