5',7'-dichloro-1'-[1-(dimethylamino)ethyl]spiro[cyclopentane-1,3'-indole]-2'-one

C16H20Cl2N2O — CID 22763184

IUPAC5',7'-dichloro-1'-[1-(dimethylamino)ethyl]spiro[cyclopentane-1,3'-indole]-2'-one
SMILESCC(N(C)C)N1C(=O)C2(CCCC2)c2cc(Cl)cc(Cl)c21
InChIInChI=1S/C16H20Cl2N2O/c1-10(19(2)3)20-14-12(8-11(17)9-13(14)18)16(15(20)21)6-4-5-7-16/h8-10H,4-7H2,1-3H3
InChIKeyWCEWASMIDXMXPK-UHFFFAOYSA-N
MW327.26 g/mol
LogP4.06
Rot. Bonds2

About 5',7'-dichloro-1'-[1-(dimethylamino)ethyl]spiro[cyclopentane-1,3'-indole]-2'-one

5',7'-dichloro-1'-[1-(dimethylamino)ethyl]spiro[cyclopentane-1,3'-indole]-2'-one (PubChem CID 22763184) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.26 g/mol. Its IUPAC name is 5',7'-dichloro-1'-[1-(dimethylamino)ethyl]spiro[cyclopentane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name5',7'-dichloro-1'-[1-(dimethylamino)ethyl]spiro[cyclopentane-1,3'-indole]-2'-one
PubChem CID22763184
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.26 g/mol
Exact Mass326.10
IUPAC Name5',7'-dichloro-1'-[1-(dimethylamino)ethyl]spiro[cyclopentane-1,3'-indole]-2'-one
SMILESCC(N(C)C)N1C(=O)C2(CCCC2)c2cc(Cl)cc(Cl)c21
InChIInChI=1S/C16H20Cl2N2O/c1-10(19(2)3)20-14-12(8-11(17)9-13(14)18)16(15(20)21)6-4-5-7-16/h8-10H,4-7H2,1-3H3
InChIKeyWCEWASMIDXMXPK-UHFFFAOYSA-N
XLogP4.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5',7'-dichloro-1'-[1-(dimethylamino)ethyl]spiro[cyclopentane-1,3'-indole]-2'-one?
The IUPAC name of 5',7'-dichloro-1'-[1-(dimethylamino)ethyl]spiro[cyclopentane-1,3'-indole]-2'-one (CID 22763184) is 5',7'-dichloro-1'-[1-(dimethylamino)ethyl]spiro[cyclopentane-1,3'-indole]-2'-one.
What is the SMILES notation for 5',7'-dichloro-1'-[1-(dimethylamino)ethyl]spiro[cyclopentane-1,3'-indole]-2'-one?
The canonical SMILES for 5',7'-dichloro-1'-[1-(dimethylamino)ethyl]spiro[cyclopentane-1,3'-indole]-2'-one is CC(N(C)C)N1C(=O)C2(CCCC2)c2cc(Cl)cc(Cl)c21.
What is the InChIKey of 5',7'-dichloro-1'-[1-(dimethylamino)ethyl]spiro[cyclopentane-1,3'-indole]-2'-one?
The InChIKey is WCEWASMIDXMXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c1-10(19(2)3)20-14-12(8-11(17)9-13(14)18)16(15(20)21)6-4-5-7-16/h8-10H,4-7H2,1-3H3.
What are the key properties of 5',7'-dichloro-1'-[1-(dimethylamino)ethyl]spiro[cyclopentane-1,3'-indole]-2'-one?
5',7'-dichloro-1'-[1-(dimethylamino)ethyl]spiro[cyclopentane-1,3'-indole]-2'-one has a molecular weight of 327.26 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5',7'-dichloro-1'-[1-(dimethylamino)ethyl]spiro[cyclopentane-1,3'-indole]-2'-one is sourced from PubChem (CID 22763184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).