2-chloro-1-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one

C16H18ClNO2 — CID 82259056

IUPAC2-chloro-1-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one
SMILESCC(Cl)C(=O)c1ccc2c(c1)CC(C)N2C(=O)C1CC1
InChIInChI=1S/C16H18ClNO2/c1-9-7-13-8-12(15(19)10(2)17)5-6-14(13)18(9)16(20)11-3-4-11/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyPDZFWMKOFXMMNV-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.18
Rot. Bonds3

About 2-chloro-1-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one

2-chloro-1-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one (PubChem CID 82259056) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-chloro-1-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one.

Molecular Properties

Compound Name2-chloro-1-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one
PubChem CID82259056
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-chloro-1-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one
SMILESCC(Cl)C(=O)c1ccc2c(c1)CC(C)N2C(=O)C1CC1
InChIInChI=1S/C16H18ClNO2/c1-9-7-13-8-12(15(19)10(2)17)5-6-14(13)18(9)16(20)11-3-4-11/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyPDZFWMKOFXMMNV-UHFFFAOYSA-N
XLogP3.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-[1-(2-methoxyacetyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one
CID 82259058
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone
CID 43550187
2-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one
CID 82341096
2-bromo-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one
CID 82258673
cyclohexyl-(2,5-dimethyl-2,3-dihydroindol-1-yl)methanone
CID 20793215
[5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 82259192
2-bromo-1-[2-methyl-1-(2,2,2-trifluoroacetyl)-2,3-dihydroindol-5-yl]propan-1-one
CID 82258686
1-[5-(2-aminopropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
CID 82341066
1-[5-(2-bromopropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
CID 82258678
1-(cyclopropanecarbonyl)-2-methyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-5-sulfonamide
CID 20901692
[5-(2-amino-4-methylpentyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone
CID 82259947
2-chloro-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 43297026

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one?
The IUPAC name of 2-chloro-1-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one (CID 82259056) is 2-chloro-1-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one.
What is the SMILES notation for 2-chloro-1-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one?
The canonical SMILES for 2-chloro-1-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one is CC(Cl)C(=O)c1ccc2c(c1)CC(C)N2C(=O)C1CC1.
What is the InChIKey of 2-chloro-1-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one?
The InChIKey is PDZFWMKOFXMMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-9-7-13-8-12(15(19)10(2)17)5-6-14(13)18(9)16(20)11-3-4-11/h5-6,8-11H,3-4,7H2,1-2H3.
What are the key properties of 2-chloro-1-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one?
2-chloro-1-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one has a molecular weight of 291.78 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one is sourced from PubChem (CID 82259056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).