(1aS,2aS,6aS,6bS)-2,2a,3,4,5,6,6a,6b-octahydro-1H-cyclopropa[b]indole-1a-carboxylic acid;hydrochloride

C10H16ClNO2 — CID 56927460

IUPAC(1aS,2aS,6aS,6bS)-2,2a,3,4,5,6,6a,6b-octahydro-1H-cyclopropa[b]indole-1a-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@]12C[C@H]1[C@@H]1CCCC[C@@H]1N2
InChIInChI=1S/C10H15NO2.ClH/c12-9(13)10-5-7(10)6-3-1-2-4-8(6)11-10;/h6-8,11H,1-5H2,(H,12,13);1H/t6-,7-,8-,10-;/m0./s1
InChIKeyOXOBJOYJCIYXOI-AHMUPFRHSA-N
MW217.70 g/mol
LogP1.41
Rot. Bonds1

About (1aS,2aS,6aS,6bS)-2,2a,3,4,5,6,6a,6b-octahydro-1H-cyclopropa[b]indole-1a-carboxylic acid;hydrochloride

(1aS,2aS,6aS,6bS)-2,2a,3,4,5,6,6a,6b-octahydro-1H-cyclopropa[b]indole-1a-carboxylic acid;hydrochloride (PubChem CID 56927460) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is (1aS,2aS,6aS,6bS)-2,2a,3,4,5,6,6a,6b-octahydro-1H-cyclopropa[b]indole-1a-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(1aS,2aS,6aS,6bS)-2,2a,3,4,5,6,6a,6b-octahydro-1H-cyclopropa[b]indole-1a-carboxylic acid;hydrochloride
PubChem CID56927460
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name(1aS,2aS,6aS,6bS)-2,2a,3,4,5,6,6a,6b-octahydro-1H-cyclopropa[b]indole-1a-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@]12C[C@H]1[C@@H]1CCCC[C@@H]1N2
InChIInChI=1S/C10H15NO2.ClH/c12-9(13)10-5-7(10)6-3-1-2-4-8(6)11-10;/h6-8,11H,1-5H2,(H,12,13);1H/t6-,7-,8-,10-;/m0./s1
InChIKeyOXOBJOYJCIYXOI-AHMUPFRHSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1aS,2aS,6aS,6bS)-2,2a,3,4,5,6,6a,6b-octahydro-1H-cyclopropa[b]indole-1a-carboxylic acid;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1aS,2aS,6aS,6bS)-2,2a,3,4,5,6,6a,6b-octahydro-1H-cyclopropa[b]indole-1a-carboxylic acid;hydrochloride?
The IUPAC name of (1aS,2aS,6aS,6bS)-2,2a,3,4,5,6,6a,6b-octahydro-1H-cyclopropa[b]indole-1a-carboxylic acid;hydrochloride (CID 56927460) is (1aS,2aS,6aS,6bS)-2,2a,3,4,5,6,6a,6b-octahydro-1H-cyclopropa[b]indole-1a-carboxylic acid;hydrochloride.
What is the SMILES notation for (1aS,2aS,6aS,6bS)-2,2a,3,4,5,6,6a,6b-octahydro-1H-cyclopropa[b]indole-1a-carboxylic acid;hydrochloride?
The canonical SMILES for (1aS,2aS,6aS,6bS)-2,2a,3,4,5,6,6a,6b-octahydro-1H-cyclopropa[b]indole-1a-carboxylic acid;hydrochloride is Cl.O=C(O)[C@]12C[C@H]1[C@@H]1CCCC[C@@H]1N2.
What is the InChIKey of (1aS,2aS,6aS,6bS)-2,2a,3,4,5,6,6a,6b-octahydro-1H-cyclopropa[b]indole-1a-carboxylic acid;hydrochloride?
The InChIKey is OXOBJOYJCIYXOI-AHMUPFRHSA-N. The full InChI is InChI=1S/C10H15NO2.ClH/c12-9(13)10-5-7(10)6-3-1-2-4-8(6)11-10;/h6-8,11H,1-5H2,(H,12,13);1H/t6-,7-,8-,10-;/m0./s1.
What are the key properties of (1aS,2aS,6aS,6bS)-2,2a,3,4,5,6,6a,6b-octahydro-1H-cyclopropa[b]indole-1a-carboxylic acid;hydrochloride?
(1aS,2aS,6aS,6bS)-2,2a,3,4,5,6,6a,6b-octahydro-1H-cyclopropa[b]indole-1a-carboxylic acid;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1aS,2aS,6aS,6bS)-2,2a,3,4,5,6,6a,6b-octahydro-1H-cyclopropa[b]indole-1a-carboxylic acid;hydrochloride is sourced from PubChem (CID 56927460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).