1-prop-2-enoylpiperidine-3-carbaldehyde

C9H13NO2 — CID 130026284

IUPAC1-prop-2-enoylpiperidine-3-carbaldehyde
SMILESC=CC(=O)N1CCCC(C=O)C1
InChIInChI=1S/C9H13NO2/c1-2-9(12)10-5-3-4-8(6-10)7-11/h2,7-8H,1,3-6H2
InChIKeyVIXMDODASPRDIA-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.61
Rot. Bonds2

About 1-prop-2-enoylpiperidine-3-carbaldehyde

1-prop-2-enoylpiperidine-3-carbaldehyde (PubChem CID 130026284) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-prop-2-enoylpiperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-prop-2-enoylpiperidine-3-carbaldehyde
PubChem CID130026284
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-prop-2-enoylpiperidine-3-carbaldehyde
SMILESC=CC(=O)N1CCCC(C=O)C1
InChIInChI=1S/C9H13NO2/c1-2-9(12)10-5-3-4-8(6-10)7-11/h2,7-8H,1,3-6H2
InChIKeyVIXMDODASPRDIA-UHFFFAOYSA-N
XLogP0.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoylpiperidine-3-carbaldehyde?
The IUPAC name of 1-prop-2-enoylpiperidine-3-carbaldehyde (CID 130026284) is 1-prop-2-enoylpiperidine-3-carbaldehyde.
What is the SMILES notation for 1-prop-2-enoylpiperidine-3-carbaldehyde?
The canonical SMILES for 1-prop-2-enoylpiperidine-3-carbaldehyde is C=CC(=O)N1CCCC(C=O)C1.
What is the InChIKey of 1-prop-2-enoylpiperidine-3-carbaldehyde?
The InChIKey is VIXMDODASPRDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-9(12)10-5-3-4-8(6-10)7-11/h2,7-8H,1,3-6H2.
What are the key properties of 1-prop-2-enoylpiperidine-3-carbaldehyde?
1-prop-2-enoylpiperidine-3-carbaldehyde has a molecular weight of 167.21 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoylpiperidine-3-carbaldehyde is sourced from PubChem (CID 130026284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).