1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one

C12H14ClNO — CID 117199896

IUPAC1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one
SMILESCC(=O)CC1CN(C)c2cccc(Cl)c21
InChIInChI=1S/C12H14ClNO/c1-8(15)6-9-7-14(2)11-5-3-4-10(13)12(9)11/h3-5,9H,6-7H2,1-2H3
InChIKeyUPVBDCUVBIBLQV-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.85
Rot. Bonds2

About 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one

1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one (PubChem CID 117199896) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one
PubChem CID117199896
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one
SMILESCC(=O)CC1CN(C)c2cccc(Cl)c21
InChIInChI=1S/C12H14ClNO/c1-8(15)6-9-7-14(2)11-5-3-4-10(13)12(9)11/h3-5,9H,6-7H2,1-2H3
InChIKeyUPVBDCUVBIBLQV-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200014
1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)ethanone
CID 117199908
1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 115106363
4-chloro-1-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117199940
2-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200003
methyl 2-(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetate
CID 115033850
3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200175
3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid
CID 117200176
1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117199954
3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol
CID 117200353
4-hydroxy-1-methyl-2,3-dihydroindole-3-carboxylic acid
CID 117200421
3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 117200137

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one?
The IUPAC name of 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one (CID 117199896) is 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one.
What is the SMILES notation for 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one?
The canonical SMILES for 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one is CC(=O)CC1CN(C)c2cccc(Cl)c21.
What is the InChIKey of 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one?
The InChIKey is UPVBDCUVBIBLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-8(15)6-9-7-14(2)11-5-3-4-10(13)12(9)11/h3-5,9H,6-7H2,1-2H3.
What are the key properties of 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one?
1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one has a molecular weight of 223.70 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one is sourced from PubChem (CID 117199896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).