7-[(2-methylphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid

C18H19NO3 — CID 2884068

IUPAC7-[(2-methylphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
SMILESCc1ccccc1NC(=O)C1C2C=CC(C3CC23)C1C(=O)O
InChIInChI=1S/C18H19NO3/c1-9-4-2-3-5-14(9)19-17(20)15-10-6-7-11(13-8-12(10)13)16(15)18(21)22/h2-7,10-13,15-16H,8H2,1H3,(H,19,20)(H,21,22)
InChIKeyHQGWLWWXSRABAP-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.70
Rot. Bonds3

About 7-[(2-methylphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid

7-[(2-methylphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid (PubChem CID 2884068) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 7-[(2-methylphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid.

Molecular Properties

Compound Name7-[(2-methylphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
PubChem CID2884068
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name7-[(2-methylphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
SMILESCc1ccccc1NC(=O)C1C2C=CC(C3CC23)C1C(=O)O
InChIInChI=1S/C18H19NO3/c1-9-4-2-3-5-14(9)19-17(20)15-10-6-7-11(13-8-12(10)13)16(15)18(21)22/h2-7,10-13,15-16H,8H2,1H3,(H,19,20)(H,21,22)
InChIKeyHQGWLWWXSRABAP-UHFFFAOYSA-N
XLogP2.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-{[4-(Acetylamino)anilino]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid
CID 2883143
2-((3,4-Dimethylphenyl)carbamoyl)cyclohexanecarboxylic acid
CID 2732796
2-[(1-Naphthylamino)carbonyl]cyclohexanecarboxylic acid
CID 307341
3-{[(2-Isopropylphenyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2887075
2-Benzyl-N-(4-fluoro-phenyl)-succinamic acid
CID 3133541
2-[(2-Fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2856339
2-[(4-Biphenylylamino)carbonyl]cyclohexanecarboxylic acid
CID 2883992
3-(Phenylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 2883110
4-Anilino-2-benzyl-4-oxobutanoic acid
CID 4521468
2-[(4-Anilinoanilino)carbonyl]cyclohexanecarboxylic acid
CID 696808
(1S,2R)-2-{N-[4-(acetylamino)phenyl]carbamoyl}cyclohexanecarboxylic acid
CID 730262
2-[(4-Ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2856357

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methylphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid?
The IUPAC name of 7-[(2-methylphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid (CID 2884068) is 7-[(2-methylphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid.
What is the SMILES notation for 7-[(2-methylphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid?
The canonical SMILES for 7-[(2-methylphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid is Cc1ccccc1NC(=O)C1C2C=CC(C3CC23)C1C(=O)O.
What is the InChIKey of 7-[(2-methylphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid?
The InChIKey is HQGWLWWXSRABAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-9-4-2-3-5-14(9)19-17(20)15-10-6-7-11(13-8-12(10)13)16(15)18(21)22/h2-7,10-13,15-16H,8H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 7-[(2-methylphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid?
7-[(2-methylphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methylphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid is sourced from PubChem (CID 2884068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).