3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide

C11H15NO — CID 155260509

IUPAC3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
SMILESCC1C(C(N)=O)C2C=CC1C21CC1
InChIInChI=1S/C11H15NO/c1-6-7-2-3-8(9(6)10(12)13)11(7)4-5-11/h2-3,6-9H,4-5H2,1H3,(H2,12,13)
InChIKeyLWIZPMVYMRWDER-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.32
Rot. Bonds1

About 3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide

3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide (PubChem CID 155260509) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide.

Molecular Properties

Compound Name3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
PubChem CID155260509
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
SMILESCC1C(C(N)=O)C2C=CC1C21CC1
InChIInChI=1S/C11H15NO/c1-6-7-2-3-8(9(6)10(12)13)11(7)4-5-11/h2-3,6-9H,4-5H2,1H3,(H2,12,13)
InChIKeyLWIZPMVYMRWDER-UHFFFAOYSA-N
XLogP1.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide?
The IUPAC name of 3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide (CID 155260509) is 3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide.
What is the SMILES notation for 3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide?
The canonical SMILES for 3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide is CC1C(C(N)=O)C2C=CC1C21CC1.
What is the InChIKey of 3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide?
The InChIKey is LWIZPMVYMRWDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-6-7-2-3-8(9(6)10(12)13)11(7)4-5-11/h2-3,6-9H,4-5H2,1H3,(H2,12,13).
What are the key properties of 3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide?
3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide has a molecular weight of 177.25 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide is sourced from PubChem (CID 155260509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).