1-(bicyclo[3.1.0]hexane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid

C16H17NO3 — CID 80564509

IUPAC1-(bicyclo[3.1.0]hexane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2CC3CC3C2)c2ccccc21
InChIInChI=1S/C16H17NO3/c18-15(11-6-9-5-10(9)7-11)17-8-13(16(19)20)12-3-1-2-4-14(12)17/h1-4,9-11,13H,5-8H2,(H,19,20)
InChIKeyRUKIBCJHIXAPRJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.25
Rot. Bonds2

About 1-(bicyclo[3.1.0]hexane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid

1-(bicyclo[3.1.0]hexane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80564509) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(bicyclo[3.1.0]hexane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(bicyclo[3.1.0]hexane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID80564509
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name1-(bicyclo[3.1.0]hexane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2CC3CC3C2)c2ccccc21
InChIInChI=1S/C16H17NO3/c18-15(11-6-9-5-10(9)7-11)17-8-13(16(19)20)12-3-1-2-4-14(12)17/h1-4,9-11,13H,5-8H2,(H,19,20)
InChIKeyRUKIBCJHIXAPRJ-UHFFFAOYSA-N
XLogP2.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(piperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565075
1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564569
(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 124574096
1-(2-cyclohexylcyclopropanecarbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691143
1-(piperidine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565113
1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565141
1-(1-methyl-2-oxopiperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691103
(3R)-1-[(3R)-2,3-dihydro-1-benzothiophene-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 124609729
1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80563027
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564111
1-(2-ethoxycyclopropanecarbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691169
1-[3-(methylamino)propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565144

Frequently Asked Questions

What is the IUPAC name of 1-(bicyclo[3.1.0]hexane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(bicyclo[3.1.0]hexane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 80564509) is 1-(bicyclo[3.1.0]hexane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(bicyclo[3.1.0]hexane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(bicyclo[3.1.0]hexane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid is O=C(O)C1CN(C(=O)C2CC3CC3C2)c2ccccc21.
What is the InChIKey of 1-(bicyclo[3.1.0]hexane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is RUKIBCJHIXAPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-15(11-6-9-5-10(9)7-11)17-8-13(16(19)20)12-3-1-2-4-14(12)17/h1-4,9-11,13H,5-8H2,(H,19,20).
What are the key properties of 1-(bicyclo[3.1.0]hexane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
1-(bicyclo[3.1.0]hexane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bicyclo[3.1.0]hexane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80564509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).