N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride

C10H9ClN2O2 — CID 115194357

IUPACN-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride
SMILESCN1C(=O)Cc2cc(NC(=O)Cl)ccc21
InChIInChI=1S/C10H9ClN2O2/c1-13-8-3-2-7(12-10(11)15)4-6(8)5-9(13)14/h2-4H,5H2,1H3,(H,12,15)
InChIKeySQMNZMJOJAZCRK-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.98
Rot. Bonds1

About N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride

N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride (PubChem CID 115194357) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride.

Molecular Properties

Compound NameN-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride
PubChem CID115194357
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC NameN-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride
SMILESCN1C(=O)Cc2cc(NC(=O)Cl)ccc21
InChIInChI=1S/C10H9ClN2O2/c1-13-8-3-2-7(12-10(11)15)4-6(8)5-9(13)14/h2-4H,5H2,1H3,(H,12,15)
InChIKeySQMNZMJOJAZCRK-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl bromide
CID 115193255
methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
CID 40805084
1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea
CID 30375662
ethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
CID 40805083
methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate
CID 110777123
3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide
CID 115153965
5-(hydroxymethylamino)-1-methyl-3H-indol-2-one
CID 115228674
3,5-dimethoxy-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide
CID 16801840
3-[(1-methyl-2-oxo-3H-indol-5-yl)amino]propanoic acid
CID 82496248
2,5-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide
CID 99842043
2-(1,3-dioxoisoindol-2-yl)-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 27421729
3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide
CID 110777137

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride?
The IUPAC name of N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride (CID 115194357) is N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride.
What is the SMILES notation for N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride?
The canonical SMILES for N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride is CN1C(=O)Cc2cc(NC(=O)Cl)ccc21.
What is the InChIKey of N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride?
The InChIKey is SQMNZMJOJAZCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-13-8-3-2-7(12-10(11)15)4-6(8)5-9(13)14/h2-4H,5H2,1H3,(H,12,15).
What are the key properties of N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride?
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride has a molecular weight of 224.65 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride is sourced from PubChem (CID 115194357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).