1-[[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methyl]pyrrolidine-2,5-dione

C19H22N2O2 — CID 122158633

IUPAC1-[[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1ccc(NCC2CC3C=CC2C3)cc1
InChIInChI=1S/C19H22N2O2/c22-18-7-8-19(23)21(18)12-13-2-5-17(6-3-13)20-11-16-10-14-1-4-15(16)9-14/h1-6,14-16,20H,7-12H2
InChIKeyKOWNLLMQCNSQKD-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.96
Rot. Bonds5

About 1-[[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methyl]pyrrolidine-2,5-dione

1-[[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methyl]pyrrolidine-2,5-dione (PubChem CID 122158633) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methyl]pyrrolidine-2,5-dione
PubChem CID122158633
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1ccc(NCC2CC3C=CC2C3)cc1
InChIInChI=1S/C19H22N2O2/c22-18-7-8-19(23)21(18)12-13-2-5-17(6-3-13)20-11-16-10-14-1-4-15(16)9-14/h1-6,14-16,20H,7-12H2
InChIKeyKOWNLLMQCNSQKD-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-ethylphenyl)propanamide
CID 3776698
1-(4-Methylphenyl)-3-[(4-methylphenyl)amino]-2,5-pyrrolidinedione
CID 2927700
2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-4-methyl-N-phenylpentanamide
CID 2967437
N-(4-cyanophenyl)-5-oxo-1-(propan-2-yl)pyrrolidine-3-carboxamide
CID 3155980
1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3354062
N-(2,4-dimethylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4879485
4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methylphenyl)butanamide
CID 6463056
4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-methylphenyl)butanamide
CID 6464187
1-acetyl-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
CID 6468881
1-tert-butyl-N-(4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6471175
N-[4-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 612869
N-(4-methylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 648286

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methyl]pyrrolidine-2,5-dione (CID 122158633) is 1-[[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1Cc1ccc(NCC2CC3C=CC2C3)cc1.
What is the InChIKey of 1-[[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is KOWNLLMQCNSQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-18-7-8-19(23)21(18)12-13-2-5-17(6-3-13)20-11-16-10-14-1-4-15(16)9-14/h1-6,14-16,20H,7-12H2.
What are the key properties of 1-[[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methyl]pyrrolidine-2,5-dione?
1-[[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 310.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 122158633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).