3-[(3-nitrophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

C15H16N2O5 — CID 2883094

IUPAC3-[(3-nitrophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1C2CCC(C2)C1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O5/c18-14(16-10-2-1-3-11(7-10)17(21)22)12-8-4-5-9(6-8)13(12)15(19)20/h1-3,7-9,12-13H,4-6H2,(H,16,18)(H,19,20)
InChIKeyCARARMWAMTUKGH-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.28
Rot. Bonds4

About 3-[(3-nitrophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

3-[(3-nitrophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 2883094) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 3-[(3-nitrophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-nitrophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID2883094
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name3-[(3-nitrophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1C2CCC(C2)C1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O5/c18-14(16-10-2-1-3-11(7-10)17(21)22)12-8-4-5-9(6-8)13(12)15(19)20/h1-3,7-9,12-13H,4-6H2,(H,16,18)(H,19,20)
InChIKeyCARARMWAMTUKGH-UHFFFAOYSA-N
XLogP2.28
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-nitrophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-[(3-nitrophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 2883094) is 3-[(3-nitrophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-[(3-nitrophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-[(3-nitrophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1C2CCC(C2)C1C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-[(3-nitrophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is CARARMWAMTUKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c18-14(16-10-2-1-3-11(7-10)17(21)22)12-8-4-5-9(6-8)13(12)15(19)20/h1-3,7-9,12-13H,4-6H2,(H,16,18)(H,19,20).
What are the key properties of 3-[(3-nitrophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
3-[(3-nitrophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 304.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-nitrophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 2883094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).