5-methyl-2-piperidin-1-ylcyclopent-2-ene-1-carbaldehyde

C12H19NO — CID 174433298

IUPAC5-methyl-2-piperidin-1-ylcyclopent-2-ene-1-carbaldehyde
SMILESCC1CC=C(N2CCCCC2)C1C=O
InChIInChI=1S/C12H19NO/c1-10-5-6-12(11(10)9-14)13-7-3-2-4-8-13/h6,9-11H,2-5,7-8H2,1H3
InChIKeyMRKKAJJJVSOAIS-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.21
Rot. Bonds2

About 5-methyl-2-piperidin-1-ylcyclopent-2-ene-1-carbaldehyde

5-methyl-2-piperidin-1-ylcyclopent-2-ene-1-carbaldehyde (PubChem CID 174433298) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-methyl-2-piperidin-1-ylcyclopent-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name5-methyl-2-piperidin-1-ylcyclopent-2-ene-1-carbaldehyde
PubChem CID174433298
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name5-methyl-2-piperidin-1-ylcyclopent-2-ene-1-carbaldehyde
SMILESCC1CC=C(N2CCCCC2)C1C=O
InChIInChI=1S/C12H19NO/c1-10-5-6-12(11(10)9-14)13-7-3-2-4-8-13/h6,9-11H,2-5,7-8H2,1H3
InChIKeyMRKKAJJJVSOAIS-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-piperidin-1-ylcyclopent-2-ene-1-carbaldehyde?
The IUPAC name of 5-methyl-2-piperidin-1-ylcyclopent-2-ene-1-carbaldehyde (CID 174433298) is 5-methyl-2-piperidin-1-ylcyclopent-2-ene-1-carbaldehyde.
What is the SMILES notation for 5-methyl-2-piperidin-1-ylcyclopent-2-ene-1-carbaldehyde?
The canonical SMILES for 5-methyl-2-piperidin-1-ylcyclopent-2-ene-1-carbaldehyde is CC1CC=C(N2CCCCC2)C1C=O.
What is the InChIKey of 5-methyl-2-piperidin-1-ylcyclopent-2-ene-1-carbaldehyde?
The InChIKey is MRKKAJJJVSOAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-5-6-12(11(10)9-14)13-7-3-2-4-8-13/h6,9-11H,2-5,7-8H2,1H3.
What are the key properties of 5-methyl-2-piperidin-1-ylcyclopent-2-ene-1-carbaldehyde?
5-methyl-2-piperidin-1-ylcyclopent-2-ene-1-carbaldehyde has a molecular weight of 193.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperidin-1-ylcyclopent-2-ene-1-carbaldehyde is sourced from PubChem (CID 174433298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).