cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid

C15H15NO3 — CID 124727159

IUPACcis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1C(=O)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C15H15NO3/c17-13(9-7-10(9)14(18)19)16-8-15(5-6-15)11-3-1-2-4-12(11)16/h1-4,9-10H,5-8H2,(H,18,19)/t9-,10+/m0/s1
InChIKeyCOZZUQYZXCJPPG-VHSXEESVSA-N
MW257.29 g/mol
LogP1.79
Rot. Bonds2

About cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 124727159) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID124727159
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namecis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1C(=O)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C15H15NO3/c17-13(9-7-10(9)14(18)19)16-8-15(5-6-15)11-3-1-2-4-12(11)16/h1-4,9-10H,5-8H2,(H,18,19)/t9-,10+/m0/s1
InChIKeyCOZZUQYZXCJPPG-VHSXEESVSA-N
XLogP1.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid (CID 124727159) is cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@@H]1C(=O)N1CC2(CC2)c2ccccc21.
What is the InChIKey of cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is COZZUQYZXCJPPG-VHSXEESVSA-N. The full InChI is InChI=1S/C15H15NO3/c17-13(9-7-10(9)14(18)19)16-8-15(5-6-15)11-3-1-2-4-12(11)16/h1-4,9-10H,5-8H2,(H,18,19)/t9-,10+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 124727159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).