trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid

C13H13NO3 — CID 7101559

IUPACtrans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1C(=O)N1CCc2ccccc21
InChIInChI=1S/C13H13NO3/c15-12(9-7-10(9)13(16)17)14-6-5-8-3-1-2-4-11(8)14/h1-4,9-10H,5-7H2,(H,16,17)/t9-,10-/m1/s1
InChIKeyWPBWYYHYSTYXOM-NXEZZACHSA-N
MW231.25 g/mol
LogP1.30
Rot. Bonds2

About trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 7101559) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID7101559
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Nametrans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1C(=O)N1CCc2ccccc21
InChIInChI=1S/C13H13NO3/c15-12(9-7-10(9)13(16)17)14-6-5-8-3-1-2-4-11(8)14/h1-4,9-10H,5-7H2,(H,16,17)/t9-,10-/m1/s1
InChIKeyWPBWYYHYSTYXOM-NXEZZACHSA-N
XLogP1.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate
CID 7101560
cis-(1S,2R)-2-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)cyclopropane-1-carboxylic acid
CID 114092405
(1R,6S)-6-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 1225798
N-benzyl-2-(2,3-dihydroindole-1-carbonyl)-N-ethylcyclopropane-1-carboxamide
CID 109136782
2-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)cyclopropane-1-carboxamide
CID 109140903
(2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid
CID 102944186
(1R,2S,4S,5R,6S,7S)-7-(2,3-dihydroindole-1-carbonyl)tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
CID 98189242
N-(3,4-difluorophenyl)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109141406
2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109136915
methyl 2-[[2-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109141365
2-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 109133165
3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 139695348

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid (CID 7101559) is trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1C(=O)N1CCc2ccccc21.
What is the InChIKey of trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is WPBWYYHYSTYXOM-NXEZZACHSA-N. The full InChI is InChI=1S/C13H13NO3/c15-12(9-7-10(9)13(16)17)14-6-5-8-3-1-2-4-11(8)14/h1-4,9-10H,5-7H2,(H,16,17)/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 7101559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).