1-prop-2-enylpiperidine-3-carbaldehyde

C9H15NO — CID 62654023

IUPAC1-prop-2-enylpiperidine-3-carbaldehyde
SMILESC=CCN1CCCC(C=O)C1
InChIInChI=1S/C9H15NO/c1-2-5-10-6-3-4-9(7-10)8-11/h2,8-9H,1,3-7H2
InChIKeyJKFOQGSPMDGCEP-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.08
Rot. Bonds3

About 1-prop-2-enylpiperidine-3-carbaldehyde

1-prop-2-enylpiperidine-3-carbaldehyde (PubChem CID 62654023) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-prop-2-enylpiperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-prop-2-enylpiperidine-3-carbaldehyde
PubChem CID62654023
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-prop-2-enylpiperidine-3-carbaldehyde
SMILESC=CCN1CCCC(C=O)C1
InChIInChI=1S/C9H15NO/c1-2-5-10-6-3-4-9(7-10)8-11/h2,8-9H,1,3-7H2
InChIKeyJKFOQGSPMDGCEP-UHFFFAOYSA-N
XLogP1.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylpiperidine-3-carbaldehyde?
The IUPAC name of 1-prop-2-enylpiperidine-3-carbaldehyde (CID 62654023) is 1-prop-2-enylpiperidine-3-carbaldehyde.
What is the SMILES notation for 1-prop-2-enylpiperidine-3-carbaldehyde?
The canonical SMILES for 1-prop-2-enylpiperidine-3-carbaldehyde is C=CCN1CCCC(C=O)C1.
What is the InChIKey of 1-prop-2-enylpiperidine-3-carbaldehyde?
The InChIKey is JKFOQGSPMDGCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-5-10-6-3-4-9(7-10)8-11/h2,8-9H,1,3-7H2.
What are the key properties of 1-prop-2-enylpiperidine-3-carbaldehyde?
1-prop-2-enylpiperidine-3-carbaldehyde has a molecular weight of 153.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpiperidine-3-carbaldehyde is sourced from PubChem (CID 62654023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).