(6-chloro-1-methylindol-3-yl)-(2,2-dimethylcyclopentyl)methanone

C17H20ClNO — CID 107176724

IUPAC(6-chloro-1-methylindol-3-yl)-(2,2-dimethylcyclopentyl)methanone
SMILESCn1cc(C(=O)C2CCCC2(C)C)c2ccc(Cl)cc21
InChIInChI=1S/C17H20ClNO/c1-17(2)8-4-5-14(17)16(20)13-10-19(3)15-9-11(18)6-7-12(13)15/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyFALWUSNXNYSHSK-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.84
Rot. Bonds2

About (6-chloro-1-methylindol-3-yl)-(2,2-dimethylcyclopentyl)methanone

(6-chloro-1-methylindol-3-yl)-(2,2-dimethylcyclopentyl)methanone (PubChem CID 107176724) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (6-chloro-1-methylindol-3-yl)-(2,2-dimethylcyclopentyl)methanone.

Molecular Properties

Compound Name(6-chloro-1-methylindol-3-yl)-(2,2-dimethylcyclopentyl)methanone
PubChem CID107176724
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(6-chloro-1-methylindol-3-yl)-(2,2-dimethylcyclopentyl)methanone
SMILESCn1cc(C(=O)C2CCCC2(C)C)c2ccc(Cl)cc21
InChIInChI=1S/C17H20ClNO/c1-17(2)8-4-5-14(17)16(20)13-10-19(3)15-9-11(18)6-7-12(13)15/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyFALWUSNXNYSHSK-UHFFFAOYSA-N
XLogP4.84
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1-methylindol-3-yl)-(2,2-dimethylcyclopentyl)methanone?
The IUPAC name of (6-chloro-1-methylindol-3-yl)-(2,2-dimethylcyclopentyl)methanone (CID 107176724) is (6-chloro-1-methylindol-3-yl)-(2,2-dimethylcyclopentyl)methanone.
What is the SMILES notation for (6-chloro-1-methylindol-3-yl)-(2,2-dimethylcyclopentyl)methanone?
The canonical SMILES for (6-chloro-1-methylindol-3-yl)-(2,2-dimethylcyclopentyl)methanone is Cn1cc(C(=O)C2CCCC2(C)C)c2ccc(Cl)cc21.
What is the InChIKey of (6-chloro-1-methylindol-3-yl)-(2,2-dimethylcyclopentyl)methanone?
The InChIKey is FALWUSNXNYSHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-17(2)8-4-5-14(17)16(20)13-10-19(3)15-9-11(18)6-7-12(13)15/h6-7,9-10,14H,4-5,8H2,1-3H3.
What are the key properties of (6-chloro-1-methylindol-3-yl)-(2,2-dimethylcyclopentyl)methanone?
(6-chloro-1-methylindol-3-yl)-(2,2-dimethylcyclopentyl)methanone has a molecular weight of 289.81 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1-methylindol-3-yl)-(2,2-dimethylcyclopentyl)methanone is sourced from PubChem (CID 107176724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).