5-methyl-2,3-dihydropyrrole-1-carbaldehyde

C6H9NO — CID 141319360

IUPAC5-methyl-2,3-dihydropyrrole-1-carbaldehyde
SMILESCC1=CCCN1C=O
InChIInChI=1S/C6H9NO/c1-6-3-2-4-7(6)5-8/h3,5H,2,4H2,1H3
InChIKeyPDTPGIKPNYDNEO-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.75
Rot. Bonds1

About 5-methyl-2,3-dihydropyrrole-1-carbaldehyde

5-methyl-2,3-dihydropyrrole-1-carbaldehyde (PubChem CID 141319360) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 5-methyl-2,3-dihydropyrrole-1-carbaldehyde.

Molecular Properties

Compound Name5-methyl-2,3-dihydropyrrole-1-carbaldehyde
PubChem CID141319360
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name5-methyl-2,3-dihydropyrrole-1-carbaldehyde
SMILESCC1=CCCN1C=O
InChIInChI=1S/C6H9NO/c1-6-3-2-4-7(6)5-8/h3,5H,2,4H2,1H3
InChIKeyPDTPGIKPNYDNEO-UHFFFAOYSA-N
XLogP0.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydropyrrole-1-carbaldehyde?
The IUPAC name of 5-methyl-2,3-dihydropyrrole-1-carbaldehyde (CID 141319360) is 5-methyl-2,3-dihydropyrrole-1-carbaldehyde.
What is the SMILES notation for 5-methyl-2,3-dihydropyrrole-1-carbaldehyde?
The canonical SMILES for 5-methyl-2,3-dihydropyrrole-1-carbaldehyde is CC1=CCCN1C=O.
What is the InChIKey of 5-methyl-2,3-dihydropyrrole-1-carbaldehyde?
The InChIKey is PDTPGIKPNYDNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-6-3-2-4-7(6)5-8/h3,5H,2,4H2,1H3.
What are the key properties of 5-methyl-2,3-dihydropyrrole-1-carbaldehyde?
5-methyl-2,3-dihydropyrrole-1-carbaldehyde has a molecular weight of 111.14 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydropyrrole-1-carbaldehyde is sourced from PubChem (CID 141319360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).