N-formyl-3-methyl-N-(2-methylphenyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide

C19H21NO2 — CID 2884110

IUPACN-formyl-3-methyl-N-(2-methylphenyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
SMILESCc1ccccc1N(C=O)C(=O)C1C(C)C2C=CC1C21CC1
InChIInChI=1S/C19H21NO2/c1-12-5-3-4-6-16(12)20(11-21)18(22)17-13(2)14-7-8-15(17)19(14)9-10-19/h3-8,11,13-15,17H,9-10H2,1-2H3
InChIKeyYAHGUTOHXUAZFR-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.33
Rot. Bonds3

About N-formyl-3-methyl-N-(2-methylphenyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide

N-formyl-3-methyl-N-(2-methylphenyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide (PubChem CID 2884110) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-formyl-3-methyl-N-(2-methylphenyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide.

Molecular Properties

Compound NameN-formyl-3-methyl-N-(2-methylphenyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
PubChem CID2884110
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-formyl-3-methyl-N-(2-methylphenyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
SMILESCc1ccccc1N(C=O)C(=O)C1C(C)C2C=CC1C21CC1
InChIInChI=1S/C19H21NO2/c1-12-5-3-4-6-16(12)20(11-21)18(22)17-13(2)14-7-8-15(17)19(14)9-10-19/h3-8,11,13-15,17H,9-10H2,1-2H3
InChIKeyYAHGUTOHXUAZFR-UHFFFAOYSA-N
XLogP3.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.33
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 N-formyl-3-methyl-N-(2-methylphenyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide?
The IUPAC name of N-formyl-3-methyl-N-(2-methylphenyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide (CID 2884110) is N-formyl-3-methyl-N-(2-methylphenyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide.
What is the SMILES notation for N-formyl-3-methyl-N-(2-methylphenyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide?
The canonical SMILES for N-formyl-3-methyl-N-(2-methylphenyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide is Cc1ccccc1N(C=O)C(=O)C1C(C)C2C=CC1C21CC1.
What is the InChIKey of N-formyl-3-methyl-N-(2-methylphenyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide?
The InChIKey is YAHGUTOHXUAZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-12-5-3-4-6-16(12)20(11-21)18(22)17-13(2)14-7-8-15(17)19(14)9-10-19/h3-8,11,13-15,17H,9-10H2,1-2H3.
What are the key properties of N-formyl-3-methyl-N-(2-methylphenyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide?
N-formyl-3-methyl-N-(2-methylphenyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-3-methyl-N-(2-methylphenyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide is sourced from PubChem (CID 2884110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).