(1R,6R)-6-(dibenzofuran-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

C20H17NO4 — CID 806478

IUPAC(1R,6R)-6-(dibenzofuran-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C20H17NO4/c22-19(15-6-1-2-7-16(15)20(23)24)21-12-9-10-14-13-5-3-4-8-17(13)25-18(14)11-12/h1-5,8-11,15-16H,6-7H2,(H,21,22)(H,23,24)/t15-,16-/m1/s1
InChIKeyAPCNZIHYKUFRNY-HZPDHXFCSA-N
MW335.36 g/mol
LogP4.19
Rot. Bonds3

About (1R,6R)-6-(dibenzofuran-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

(1R,6R)-6-(dibenzofuran-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 806478) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is (1R,6R)-6-(dibenzofuran-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R,6R)-6-(dibenzofuran-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID806478
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name(1R,6R)-6-(dibenzofuran-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C20H17NO4/c22-19(15-6-1-2-7-16(15)20(23)24)21-12-9-10-14-13-5-3-4-8-17(13)25-18(14)11-12/h1-5,8-11,15-16H,6-7H2,(H,21,22)(H,23,24)/t15-,16-/m1/s1
InChIKeyAPCNZIHYKUFRNY-HZPDHXFCSA-N
XLogP4.19
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,6S)-6-(dibenzofuran-3-ylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 1203748
N-dibenzofuran-3-ylcyclohexanecarboxamide
CID 2833464
3-(dibenzofuran-3-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3127941
(2R)-N-dibenzofuran-3-yloxolane-2-carboxamide
CID 7269123
(1S,6S)-6-[(4-phenoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 795296
1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea
CID 4639027
4-[(6-carboxycyclohex-3-ene-1-carbonyl)amino]benzoic acid
CID 2883124
(1S,6S)-6-[(4-chlorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 795167
N-dibenzofuran-3-yl-2,2-dimethylpropanamide
CID 15495610
6-[(3-chloro-4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 588270
N-dibenzofuran-3-yl-4-phenylbenzamide
CID 3125062
3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide
CID 55796095

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-6-(dibenzofuran-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of (1R,6R)-6-(dibenzofuran-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid (CID 806478) is (1R,6R)-6-(dibenzofuran-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for (1R,6R)-6-(dibenzofuran-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for (1R,6R)-6-(dibenzofuran-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid is O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of (1R,6R)-6-(dibenzofuran-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is APCNZIHYKUFRNY-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H17NO4/c22-19(15-6-1-2-7-16(15)20(23)24)21-12-9-10-14-13-5-3-4-8-17(13)25-18(14)11-12/h1-5,8-11,15-16H,6-7H2,(H,21,22)(H,23,24)/t15-,16-/m1/s1.
What are the key properties of (1R,6R)-6-(dibenzofuran-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
(1R,6R)-6-(dibenzofuran-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6-(dibenzofuran-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 806478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).