3-methylidene-2H-azete-2-carbaldehyde

C5H5NO — CID 142770263

IUPAC3-methylidene-2H-azete-2-carbaldehyde
SMILESC=C1C=NC1C=O
InChIInChI=1S/C5H5NO/c1-4-2-6-5(4)3-7/h2-3,5H,1H2
InChIKeyYYMAHUUGJRUGSW-UHFFFAOYSA-N
MW95.10 g/mol
LogP0.19
Rot. Bonds1

About 3-methylidene-2H-azete-2-carbaldehyde

3-methylidene-2H-azete-2-carbaldehyde (PubChem CID 142770263) has the molecular formula C5H5NO and a molecular weight of 95.10 g/mol. Its IUPAC name is 3-methylidene-2H-azete-2-carbaldehyde.

Molecular Properties

Compound Name3-methylidene-2H-azete-2-carbaldehyde
PubChem CID142770263
Molecular FormulaC5H5NO
Molecular Weight95.10 g/mol
Exact Mass95.04
IUPAC Name3-methylidene-2H-azete-2-carbaldehyde
SMILESC=C1C=NC1C=O
InChIInChI=1S/C5H5NO/c1-4-2-6-5(4)3-7/h2-3,5H,1H2
InChIKeyYYMAHUUGJRUGSW-UHFFFAOYSA-N
XLogP0.19
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-methylidenecyclohexane-1-carbaldehyde
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4,4-dimethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde
CID 174507090
4,5-difluoro-6-methylidenecyclohexa-2,4-diene-1-carbaldehyde
CID 87537612
4-(dichloromethyl)-1,3-dioxole-2-carbaldehyde
CID 174682516
2-chloro-1,2-dihydropyrimidine-5-carbaldehyde
CID 173219527
5-methyl-4-methylidene-1,5-dihydropyrazole
CID 147441004
hydron;2H-pyrrole-2-carbaldehyde
CID 175331404
3-(dimethylamino)-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde
CID 174387145
3-cyclopropyl-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde
CID 174387140

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2H-azete-2-carbaldehyde?
The IUPAC name of 3-methylidene-2H-azete-2-carbaldehyde (CID 142770263) is 3-methylidene-2H-azete-2-carbaldehyde.
What is the SMILES notation for 3-methylidene-2H-azete-2-carbaldehyde?
The canonical SMILES for 3-methylidene-2H-azete-2-carbaldehyde is C=C1C=NC1C=O.
What is the InChIKey of 3-methylidene-2H-azete-2-carbaldehyde?
The InChIKey is YYMAHUUGJRUGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO/c1-4-2-6-5(4)3-7/h2-3,5H,1H2.
What are the key properties of 3-methylidene-2H-azete-2-carbaldehyde?
3-methylidene-2H-azete-2-carbaldehyde has a molecular weight of 95.10 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2H-azete-2-carbaldehyde is sourced from PubChem (CID 142770263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).