6,7-dichloro-2-cyclopentyl-2-methyl-5-(pyridin-3-ylmethoxy)-3H-inden-1-one

C21H21Cl2NO2 — CID 11639690

IUPAC6,7-dichloro-2-cyclopentyl-2-methyl-5-(pyridin-3-ylmethoxy)-3H-inden-1-one
SMILESCC1(C2CCCC2)Cc2cc(OCc3cccnc3)c(Cl)c(Cl)c2C1=O
InChIInChI=1S/C21H21Cl2NO2/c1-21(15-6-2-3-7-15)10-14-9-16(18(22)19(23)17(14)20(21)25)26-12-13-5-4-8-24-11-13/h4-5,8-9,11,15H,2-3,6-7,10,12H2,1H3
InChIKeyOLWCEPWWUJPQLT-UHFFFAOYSA-N
MW390.31 g/mol
LogP5.90
Rot. Bonds4

About 6,7-dichloro-2-cyclopentyl-2-methyl-5-(pyridin-3-ylmethoxy)-3H-inden-1-one

6,7-dichloro-2-cyclopentyl-2-methyl-5-(pyridin-3-ylmethoxy)-3H-inden-1-one (PubChem CID 11639690) has the molecular formula C21H21Cl2NO2 and a molecular weight of 390.31 g/mol. Its IUPAC name is 6,7-dichloro-2-cyclopentyl-2-methyl-5-(pyridin-3-ylmethoxy)-3H-inden-1-one.

Molecular Properties

Compound Name6,7-dichloro-2-cyclopentyl-2-methyl-5-(pyridin-3-ylmethoxy)-3H-inden-1-one
PubChem CID11639690
Molecular FormulaC21H21Cl2NO2
Molecular Weight390.31 g/mol
Exact Mass389.09
IUPAC Name6,7-dichloro-2-cyclopentyl-2-methyl-5-(pyridin-3-ylmethoxy)-3H-inden-1-one
SMILESCC1(C2CCCC2)Cc2cc(OCc3cccnc3)c(Cl)c(Cl)c2C1=O
InChIInChI=1S/C21H21Cl2NO2/c1-21(15-6-2-3-7-15)10-14-9-16(18(22)19(23)17(14)20(21)25)26-12-13-5-4-8-24-11-13/h4-5,8-9,11,15H,2-3,6-7,10,12H2,1H3
InChIKeyOLWCEPWWUJPQLT-UHFFFAOYSA-N
XLogP5.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.31
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,7-dichloro-2-cyclopentyl-2-methyl-5-(pyridin-3-ylmethoxy)-3H-inden-1-one with MolForge

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Related Compounds

2-chloro-5-[3-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxymethyl]phenyl]benzoic acid
CID 11649618
2-cyclopentyl-2,6,7-trimethyl-5-[[3-(pyridin-4-ylsulfanylmethyl)phenyl]methoxy]-3H-inden-1-one
CID 11662837
6,7-dichloro-2-cyclopentyl-2-methyl-5-(pyridin-3-ylmethoxy)-3a,4-dihydro-3H-inden-1-one
CID 141139543
N-[6,7-dichloro-2-cyclopentyl-2-methyl-5-(2H-tetrazol-5-ylmethoxy)-3H-inden-1-ylidene]hydroxylamine
CID 88839053
4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxymethyl]benzonitrile
CID 69251918
2-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-cyclopentyl-4-(pyridin-3-ylmethoxy)-3H-pyran-6-one
CID 58762330
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
3-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 121427496
5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 63324438
[(2S)-2-(aminomethyl)piperidin-1-yl]-[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124573443
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine
CID 112828338
2-(pyridin-3-ylmethoxy)benzaldehyde
CID 6485567

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-cyclopentyl-2-methyl-5-(pyridin-3-ylmethoxy)-3H-inden-1-one?
The IUPAC name of 6,7-dichloro-2-cyclopentyl-2-methyl-5-(pyridin-3-ylmethoxy)-3H-inden-1-one (CID 11639690) is 6,7-dichloro-2-cyclopentyl-2-methyl-5-(pyridin-3-ylmethoxy)-3H-inden-1-one.
What is the SMILES notation for 6,7-dichloro-2-cyclopentyl-2-methyl-5-(pyridin-3-ylmethoxy)-3H-inden-1-one?
The canonical SMILES for 6,7-dichloro-2-cyclopentyl-2-methyl-5-(pyridin-3-ylmethoxy)-3H-inden-1-one is CC1(C2CCCC2)Cc2cc(OCc3cccnc3)c(Cl)c(Cl)c2C1=O.
What is the InChIKey of 6,7-dichloro-2-cyclopentyl-2-methyl-5-(pyridin-3-ylmethoxy)-3H-inden-1-one?
The InChIKey is OLWCEPWWUJPQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2NO2/c1-21(15-6-2-3-7-15)10-14-9-16(18(22)19(23)17(14)20(21)25)26-12-13-5-4-8-24-11-13/h4-5,8-9,11,15H,2-3,6-7,10,12H2,1H3.
What are the key properties of 6,7-dichloro-2-cyclopentyl-2-methyl-5-(pyridin-3-ylmethoxy)-3H-inden-1-one?
6,7-dichloro-2-cyclopentyl-2-methyl-5-(pyridin-3-ylmethoxy)-3H-inden-1-one has a molecular weight of 390.31 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-cyclopentyl-2-methyl-5-(pyridin-3-ylmethoxy)-3H-inden-1-one is sourced from PubChem (CID 11639690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).