5-(3-methylidenepiperidin-1-yl)furan-2-carbaldehyde

C11H13NO2 — CID 165453191

IUPAC5-(3-methylidenepiperidin-1-yl)furan-2-carbaldehyde
SMILESC=C1CCCN(c2ccc(C=O)o2)C1
InChIInChI=1S/C11H13NO2/c1-9-3-2-6-12(7-9)11-5-4-10(8-13)14-11/h4-5,8H,1-3,6-7H2
InChIKeyWLZCFAWERYENNL-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.25
Rot. Bonds2

About 5-(3-methylidenepiperidin-1-yl)furan-2-carbaldehyde

5-(3-methylidenepiperidin-1-yl)furan-2-carbaldehyde (PubChem CID 165453191) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-(3-methylidenepiperidin-1-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-methylidenepiperidin-1-yl)furan-2-carbaldehyde
PubChem CID165453191
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name5-(3-methylidenepiperidin-1-yl)furan-2-carbaldehyde
SMILESC=C1CCCN(c2ccc(C=O)o2)C1
InChIInChI=1S/C11H13NO2/c1-9-3-2-6-12(7-9)11-5-4-10(8-13)14-11/h4-5,8H,1-3,6-7H2
InChIKeyWLZCFAWERYENNL-UHFFFAOYSA-N
XLogP2.25
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-(3-methylidenepiperidin-1-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(3-methylidenepiperidin-1-yl)furan-2-carbaldehyde (CID 165453191) is 5-(3-methylidenepiperidin-1-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3-methylidenepiperidin-1-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(3-methylidenepiperidin-1-yl)furan-2-carbaldehyde is C=C1CCCN(c2ccc(C=O)o2)C1.
What is the InChIKey of 5-(3-methylidenepiperidin-1-yl)furan-2-carbaldehyde?
The InChIKey is WLZCFAWERYENNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-9-3-2-6-12(7-9)11-5-4-10(8-13)14-11/h4-5,8H,1-3,6-7H2.
What are the key properties of 5-(3-methylidenepiperidin-1-yl)furan-2-carbaldehyde?
5-(3-methylidenepiperidin-1-yl)furan-2-carbaldehyde has a molecular weight of 191.23 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylidenepiperidin-1-yl)furan-2-carbaldehyde is sourced from PubChem (CID 165453191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).