cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate

C13H12NO3- — CID 7101560

IUPACcis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate
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)/p-1/t9-,10+/m0/s1
InChIKeyWPBWYYHYSTYXOM-VHSXEESVSA-M
MW230.24 g/mol
LogP-0.04
Rot. Bonds2

About cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate

cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate (PubChem CID 7101560) has the molecular formula C13H12NO3- and a molecular weight of 230.24 g/mol. Its IUPAC name is cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate
PubChem CID7101560
Molecular FormulaC13H12NO3-
Molecular Weight230.24 g/mol
Exact Mass230.08
IUPAC Namecis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate
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)/p-1/t9-,10+/m0/s1
InChIKeyWPBWYYHYSTYXOM-VHSXEESVSA-M
XLogP-0.04
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 7101559
2-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)cyclopropane-1-carboxamide
CID 109140903
2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109136915
2-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 109133165
2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 109137070
2-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 109137724
N-(3,4-difluorophenyl)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109141406
N-benzyl-2-(2,3-dihydroindole-1-carbonyl)-N-ethylcyclopropane-1-carboxamide
CID 109136782
methyl 2-[[2-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109141365
1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone
CID 90511233
N-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109141370
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone
CID 124554087

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate (CID 7101560) is cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate is O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCc2ccccc21.
What is the InChIKey of cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate?
The InChIKey is WPBWYYHYSTYXOM-VHSXEESVSA-M. 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)/p-1/t9-,10+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate?
cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate has a molecular weight of 230.24 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 7101560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).