(2,2-dichloro-1-methylcyclopropyl)-(1H-indol-3-yl)methanone

C13H11Cl2NO — CID 44626731

IUPAC(2,2-dichloro-1-methylcyclopropyl)-(1H-indol-3-yl)methanone
SMILESCC1(C(=O)c2c[nH]c3ccccc23)CC1(Cl)Cl
InChIInChI=1S/C13H11Cl2NO/c1-12(7-13(12,14)15)11(17)9-6-16-10-5-3-2-4-8(9)10/h2-6,16H,7H2,1H3
InChIKeyCKVJLVVTIAALOL-UHFFFAOYSA-N
MW268.14 g/mol
LogP3.93
Rot. Bonds2

About (2,2-dichloro-1-methylcyclopropyl)-(1H-indol-3-yl)methanone

(2,2-dichloro-1-methylcyclopropyl)-(1H-indol-3-yl)methanone (PubChem CID 44626731) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is (2,2-dichloro-1-methylcyclopropyl)-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2,2-dichloro-1-methylcyclopropyl)-(1H-indol-3-yl)methanone
PubChem CID44626731
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name(2,2-dichloro-1-methylcyclopropyl)-(1H-indol-3-yl)methanone
SMILESCC1(C(=O)c2c[nH]c3ccccc23)CC1(Cl)Cl
InChIInChI=1S/C13H11Cl2NO/c1-12(7-13(12,14)15)11(17)9-6-16-10-5-3-2-4-8(9)10/h2-6,16H,7H2,1H3
InChIKeyCKVJLVVTIAALOL-UHFFFAOYSA-N
XLogP3.93
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454513
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
N-(1-methylcyclopropyl)-1H-indole-3-carboxamide
CID 115634491
1H-indol-3-yl-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921378
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
(3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 79036861
3-(1H-indole-3-carbonyl)oxetane-3-carbonitrile
CID 116922272
sodium 1H-indole-3-carboxylate
CID 23698293
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
cyclopropyl(1H-indol-3-yl)methanone
CID 965839
[9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone
CID 39378328

Frequently Asked Questions

What is the IUPAC name of (2,2-dichloro-1-methylcyclopropyl)-(1H-indol-3-yl)methanone?
The IUPAC name of (2,2-dichloro-1-methylcyclopropyl)-(1H-indol-3-yl)methanone (CID 44626731) is (2,2-dichloro-1-methylcyclopropyl)-(1H-indol-3-yl)methanone.
What is the SMILES notation for (2,2-dichloro-1-methylcyclopropyl)-(1H-indol-3-yl)methanone?
The canonical SMILES for (2,2-dichloro-1-methylcyclopropyl)-(1H-indol-3-yl)methanone is CC1(C(=O)c2c[nH]c3ccccc23)CC1(Cl)Cl.
What is the InChIKey of (2,2-dichloro-1-methylcyclopropyl)-(1H-indol-3-yl)methanone?
The InChIKey is CKVJLVVTIAALOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-12(7-13(12,14)15)11(17)9-6-16-10-5-3-2-4-8(9)10/h2-6,16H,7H2,1H3.
What are the key properties of (2,2-dichloro-1-methylcyclopropyl)-(1H-indol-3-yl)methanone?
(2,2-dichloro-1-methylcyclopropyl)-(1H-indol-3-yl)methanone has a molecular weight of 268.14 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichloro-1-methylcyclopropyl)-(1H-indol-3-yl)methanone is sourced from PubChem (CID 44626731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).