1a,2-dihydro-1H-cyclopropa[b]indole-6b-carboxylic acid

C10H9NO2 — CID 105436004

IUPAC1a,2-dihydro-1H-cyclopropa[b]indole-6b-carboxylic acid
SMILESO=C(O)C12CC1Nc1ccccc12
InChIInChI=1S/C10H9NO2/c12-9(13)10-5-8(10)11-7-4-2-1-3-6(7)10/h1-4,8,11H,5H2,(H,12,13)
InChIKeyWMYTWFCTUZZCSK-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.21
Rot. Bonds1

About 1a,2-dihydro-1H-cyclopropa[b]indole-6b-carboxylic acid

1a,2-dihydro-1H-cyclopropa[b]indole-6b-carboxylic acid (PubChem CID 105436004) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1a,2-dihydro-1H-cyclopropa[b]indole-6b-carboxylic acid.

Molecular Properties

Compound Name1a,2-dihydro-1H-cyclopropa[b]indole-6b-carboxylic acid
PubChem CID105436004
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name1a,2-dihydro-1H-cyclopropa[b]indole-6b-carboxylic acid
SMILESO=C(O)C12CC1Nc1ccccc12
InChIInChI=1S/C10H9NO2/c12-9(13)10-5-8(10)11-7-4-2-1-3-6(7)10/h1-4,8,11H,5H2,(H,12,13)
InChIKeyWMYTWFCTUZZCSK-UHFFFAOYSA-N
XLogP1.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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cis-(1S,2R)-2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid
CID 10954383
(1R,8bS)-8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-1-carboxylic acid
CID 102283763
1-(2-chlorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 83842824
(3aS,4R,8bS)-4-hydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]indene-4-carboxylic acid
CID 124707596
4-(oxan-4-yl)-2,3-dihydrochromene-4-carboxylic acid
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(2S)-2-amino-3-[(3R)-2,3-dihydroxy-1,2-dihydroindol-3-yl]propanoic acid
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(8b-hydroxy-1,2,3a,4-tetrahydrofuro[2,3-b]indol-2-yl)methyl benzoate
CID 78053789
3-[(2aR,7aS)-7,7a-dihydro-2H-oxeto[2,3-b]indol-2a-yl]-2-aminopropanoic acid
CID 67062753
(4aR,9S,10aS)-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-4a,9-dicarboxylic acid
CID 56983279
9b-methyl-1,2,3,4,4a,5-hexahydropyrido[4,3-b]indole
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Frequently Asked Questions

What is the IUPAC name of 1a,2-dihydro-1H-cyclopropa[b]indole-6b-carboxylic acid?
The IUPAC name of 1a,2-dihydro-1H-cyclopropa[b]indole-6b-carboxylic acid (CID 105436004) is 1a,2-dihydro-1H-cyclopropa[b]indole-6b-carboxylic acid.
What is the SMILES notation for 1a,2-dihydro-1H-cyclopropa[b]indole-6b-carboxylic acid?
The canonical SMILES for 1a,2-dihydro-1H-cyclopropa[b]indole-6b-carboxylic acid is O=C(O)C12CC1Nc1ccccc12.
What is the InChIKey of 1a,2-dihydro-1H-cyclopropa[b]indole-6b-carboxylic acid?
The InChIKey is WMYTWFCTUZZCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-9(13)10-5-8(10)11-7-4-2-1-3-6(7)10/h1-4,8,11H,5H2,(H,12,13).
What are the key properties of 1a,2-dihydro-1H-cyclopropa[b]indole-6b-carboxylic acid?
1a,2-dihydro-1H-cyclopropa[b]indole-6b-carboxylic acid has a molecular weight of 175.19 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,2-dihydro-1H-cyclopropa[b]indole-6b-carboxylic acid is sourced from PubChem (CID 105436004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).