1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone

C14H14ClNO — CID 103162533

IUPAC1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone
SMILESO=C(CC1CCC1)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C14H14ClNO/c15-11-5-2-6-12-14(11)10(8-16-12)13(17)7-9-3-1-4-9/h2,5-6,8-9,16H,1,3-4,7H2
InChIKeyNILPRHRSXLELRT-UHFFFAOYSA-N
MW247.72 g/mol
LogP4.19
Rot. Bonds3

About 1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone

1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone (PubChem CID 103162533) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone.

Molecular Properties

Compound Name1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone
PubChem CID103162533
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone
SMILESO=C(CC1CCC1)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C14H14ClNO/c15-11-5-2-6-12-14(11)10(8-16-12)13(17)7-9-3-1-4-9/h2,5-6,8-9,16H,1,3-4,7H2
InChIKeyNILPRHRSXLELRT-UHFFFAOYSA-N
XLogP4.19
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone
CID 43163350
2-cyclohexyl-1-(4-fluoro-1H-indol-3-yl)ethanone
CID 82793212
1-(2-chlorophenyl)-2-cyclohexylethanone
CID 62622311
4-chloro-N-[(3,3-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide
CID 160755750
(4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107176610
4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide
CID 121393354
2-[(2R)-2-(4-chloro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-1-phenylethanone
CID 166692220
1-(4-chloro-1H-indol-3-yl)-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one
CID 147546384
(4-chloro-1H-indol-3-yl)-phenylmethanone
CID 12030231
1-(6-bromo-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162463
1-(5-bromo-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162405
3-(3-cyclopentylpropanoyl)-1H-indole-4-carbonitrile
CID 107918690

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone?
The IUPAC name of 1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone (CID 103162533) is 1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone.
What is the SMILES notation for 1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone?
The canonical SMILES for 1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone is O=C(CC1CCC1)c1c[nH]c2cccc(Cl)c12.
What is the InChIKey of 1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone?
The InChIKey is NILPRHRSXLELRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c15-11-5-2-6-12-14(11)10(8-16-12)13(17)7-9-3-1-4-9/h2,5-6,8-9,16H,1,3-4,7H2.
What are the key properties of 1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone?
1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone has a molecular weight of 247.72 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone is sourced from PubChem (CID 103162533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).