(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydroindol-6-one;hydrochloride

C8H14ClNO — CID 169445248

IUPAC(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydroindol-6-one;hydrochloride
SMILESCl.O=C1CC[C@@H]2CCN[C@@H]2C1
InChIInChI=1S/C8H13NO.ClH/c10-7-2-1-6-3-4-9-8(6)5-7;/h6,8-9H,1-5H2;1H/t6-,8-;/m1./s1
InChIKeyLVIUEIYZTQSYSV-CIRBGYJCSA-N
MW175.66 g/mol
LogP1.14
Rot. Bonds

About (3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydroindol-6-one;hydrochloride

(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydroindol-6-one;hydrochloride (PubChem CID 169445248) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is (3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydroindol-6-one;hydrochloride.

Molecular Properties

Compound Name(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydroindol-6-one;hydrochloride
PubChem CID169445248
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydroindol-6-one;hydrochloride
SMILESCl.O=C1CC[C@@H]2CCN[C@@H]2C1
InChIInChI=1S/C8H13NO.ClH/c10-7-2-1-6-3-4-9-8(6)5-7;/h6,8-9H,1-5H2;1H/t6-,8-;/m1./s1
InChIKeyLVIUEIYZTQSYSV-CIRBGYJCSA-N
XLogP1.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydroindol-6-one;hydrochloride with MolForge

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Related Compounds

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5-piperidin-4-ylpyrrolidin-2-one;hydrochloride
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(1R,3aS,7aS)-6-oxo-1,2,3,3a,4,5,7,7a-octahydroisoindole-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydroindol-6-one;hydrochloride?
The IUPAC name of (3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydroindol-6-one;hydrochloride (CID 169445248) is (3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydroindol-6-one;hydrochloride.
What is the SMILES notation for (3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydroindol-6-one;hydrochloride?
The canonical SMILES for (3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydroindol-6-one;hydrochloride is Cl.O=C1CC[C@@H]2CCN[C@@H]2C1.
What is the InChIKey of (3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydroindol-6-one;hydrochloride?
The InChIKey is LVIUEIYZTQSYSV-CIRBGYJCSA-N. The full InChI is InChI=1S/C8H13NO.ClH/c10-7-2-1-6-3-4-9-8(6)5-7;/h6,8-9H,1-5H2;1H/t6-,8-;/m1./s1.
What are the key properties of (3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydroindol-6-one;hydrochloride?
(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydroindol-6-one;hydrochloride has a molecular weight of 175.66 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydroindol-6-one;hydrochloride is sourced from PubChem (CID 169445248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).