1'-methoxyspiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride

C14H18ClNO2 — CID 141172318

IUPAC1'-methoxyspiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride
SMILESCON1C(=O)C2(CCCCC2)c2ccccc21.Cl
InChIInChI=1S/C14H17NO2.ClH/c1-17-15-12-8-4-3-7-11(12)14(13(15)16)9-5-2-6-10-14;/h3-4,7-8H,2,5-6,9-10H2,1H3;1H
InChIKeyHKOHBPZMTLDKON-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.22
Rot. Bonds1

About 1'-methoxyspiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride

1'-methoxyspiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride (PubChem CID 141172318) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1'-methoxyspiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride.

Molecular Properties

Compound Name1'-methoxyspiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride
PubChem CID141172318
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1'-methoxyspiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride
SMILESCON1C(=O)C2(CCCCC2)c2ccccc21.Cl
InChIInChI=1S/C14H17NO2.ClH/c1-17-15-12-8-4-3-7-11(12)14(13(15)16)9-5-2-6-10-14;/h3-4,7-8H,2,5-6,9-10H2,1H3;1H
InChIKeyHKOHBPZMTLDKON-UHFFFAOYSA-N
XLogP3.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-methoxyspiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride?
The IUPAC name of 1'-methoxyspiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride (CID 141172318) is 1'-methoxyspiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride.
What is the SMILES notation for 1'-methoxyspiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride?
The canonical SMILES for 1'-methoxyspiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride is CON1C(=O)C2(CCCCC2)c2ccccc21.Cl.
What is the InChIKey of 1'-methoxyspiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride?
The InChIKey is HKOHBPZMTLDKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.ClH/c1-17-15-12-8-4-3-7-11(12)14(13(15)16)9-5-2-6-10-14;/h3-4,7-8H,2,5-6,9-10H2,1H3;1H.
What are the key properties of 1'-methoxyspiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride?
1'-methoxyspiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methoxyspiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride is sourced from PubChem (CID 141172318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).