7-chloro-3-methyl-3-propan-2-yl-1H-indol-2-one

C12H14ClNO — CID 106702198

IUPAC7-chloro-3-methyl-3-propan-2-yl-1H-indol-2-one
SMILESCC(C)C1(C)C(=O)Nc2c(Cl)cccc21
InChIInChI=1S/C12H14ClNO/c1-7(2)12(3)8-5-4-6-9(13)10(8)14-11(12)15/h4-7H,1-3H3,(H,14,15)
InChIKeyWRFSFHBCQBLCKJ-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.21
Rot. Bonds1

About 7-chloro-3-methyl-3-propan-2-yl-1H-indol-2-one

7-chloro-3-methyl-3-propan-2-yl-1H-indol-2-one (PubChem CID 106702198) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 7-chloro-3-methyl-3-propan-2-yl-1H-indol-2-one.

Molecular Properties

Compound Name7-chloro-3-methyl-3-propan-2-yl-1H-indol-2-one
PubChem CID106702198
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name7-chloro-3-methyl-3-propan-2-yl-1H-indol-2-one
SMILESCC(C)C1(C)C(=O)Nc2c(Cl)cccc21
InChIInChI=1S/C12H14ClNO/c1-7(2)12(3)8-5-4-6-9(13)10(8)14-11(12)15/h4-7H,1-3H3,(H,14,15)
InChIKeyWRFSFHBCQBLCKJ-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,8-dimethyl-4-propan-2-ylisoquinoline-1,3-dione
CID 113442559
3-butyl-7-chloro-3-ethyl-1H-indol-2-one
CID 106702217
6-chloro-2,2,3,3-tetramethyl-1,5-dihydro-1,5-benzodiazepin-4-one
CID 113459411
2-[(7-chloro-3-methyl-2-oxo-1H-indol-3-yl)methyl]benzonitrile
CID 126473107
(3R)-7-chlorospiro[1H-indole-3,3'-2,6-dihydro-1H-pyridine]-2-one;hydrochloride
CID 23516925
6-chloro-3,3,4,4-tetramethyl-1,5-dihydro-1,5-benzodiazepin-2-one
CID 79291566
tert-butyl N-[(3S)-7-chloro-3-(1-nitroethyl)-2-oxo-1H-indol-3-yl]carbamate
CID 134950500
4-chloro-3,3-dimethyl-1H-indol-2-one
CID 53402598
(1S,3S,3aR,6aS)-7'-chloro-5-[(2-chlorophenyl)methyl]-1-propan-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 40983857
5-chloro-1,1-dimethyl-3,4-dihydronaphthalen-2-one
CID 115011001
(1R,3S,3aR,6aS)-5-[(2R)-butan-2-yl]-7'-chloro-1-(2-methylsulfanylethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 11910821
(3R)-7-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
CID 39315528

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-3-propan-2-yl-1H-indol-2-one?
The IUPAC name of 7-chloro-3-methyl-3-propan-2-yl-1H-indol-2-one (CID 106702198) is 7-chloro-3-methyl-3-propan-2-yl-1H-indol-2-one.
What is the SMILES notation for 7-chloro-3-methyl-3-propan-2-yl-1H-indol-2-one?
The canonical SMILES for 7-chloro-3-methyl-3-propan-2-yl-1H-indol-2-one is CC(C)C1(C)C(=O)Nc2c(Cl)cccc21.
What is the InChIKey of 7-chloro-3-methyl-3-propan-2-yl-1H-indol-2-one?
The InChIKey is WRFSFHBCQBLCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-7(2)12(3)8-5-4-6-9(13)10(8)14-11(12)15/h4-7H,1-3H3,(H,14,15).
What are the key properties of 7-chloro-3-methyl-3-propan-2-yl-1H-indol-2-one?
7-chloro-3-methyl-3-propan-2-yl-1H-indol-2-one has a molecular weight of 223.70 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-3-propan-2-yl-1H-indol-2-one is sourced from PubChem (CID 106702198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).