3-(4-methylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate

C15H20NO3- — CID 73132239

IUPAC3-(4-methylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC1CCN(C(=O)C2C3C=CC(C3)C2C(=O)[O-])CC1
InChIInChI=1S/C15H21NO3/c1-9-4-6-16(7-5-9)14(17)12-10-2-3-11(8-10)13(12)15(18)19/h2-3,9-13H,4-8H2,1H3,(H,18,19)/p-1
InChIKeyGNOUJHHHVHESEW-UHFFFAOYSA-M
MW262.33 g/mol
LogP0.43
Rot. Bonds2

About 3-(4-methylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate

3-(4-methylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 73132239) has the molecular formula C15H20NO3- and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-(4-methylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name3-(4-methylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID73132239
Molecular FormulaC15H20NO3-
Molecular Weight262.33 g/mol
Exact Mass262.14
IUPAC Name3-(4-methylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC1CCN(C(=O)C2C3C=CC(C3)C2C(=O)[O-])CC1
InChIInChI=1S/C15H21NO3/c1-9-4-6-16(7-5-9)14(17)12-10-2-3-11(8-10)13(12)15(18)19/h2-3,9-13H,4-8H2,1H3,(H,18,19)/p-1
InChIKeyGNOUJHHHVHESEW-UHFFFAOYSA-M
XLogP0.43
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of 3-(4-methylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 73132239) is 3-(4-methylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for 3-(4-methylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for 3-(4-methylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate is CC1CCN(C(=O)C2C3C=CC(C3)C2C(=O)[O-])CC1.
What is the InChIKey of 3-(4-methylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is GNOUJHHHVHESEW-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H21NO3/c1-9-4-6-16(7-5-9)14(17)12-10-2-3-11(8-10)13(12)15(18)19/h2-3,9-13H,4-8H2,1H3,(H,18,19)/p-1.
What are the key properties of 3-(4-methylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate?
3-(4-methylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 262.33 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 73132239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).