chloromethyl 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboxylate

C15H16ClNO3 — CID 167431718

IUPACchloromethyl 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboxylate
SMILESCC1(C)C(=O)N(C2CC2)c2cc(C(=O)OCCl)ccc21
InChIInChI=1S/C15H16ClNO3/c1-15(2)11-6-3-9(13(18)20-8-16)7-12(11)17(14(15)19)10-4-5-10/h3,6-7,10H,4-5,8H2,1-2H3
InChIKeyZLUQYAQPEKEANY-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.83
Rot. Bonds3

About chloromethyl 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboxylate

chloromethyl 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboxylate (PubChem CID 167431718) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is chloromethyl 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboxylate.

Molecular Properties

Compound Namechloromethyl 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboxylate
PubChem CID167431718
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Namechloromethyl 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboxylate
SMILESCC1(C)C(=O)N(C2CC2)c2cc(C(=O)OCCl)ccc21
InChIInChI=1S/C15H16ClNO3/c1-15(2)11-6-3-9(13(18)20-8-16)7-12(11)17(14(15)19)10-4-5-10/h3,6-7,10H,4-5,8H2,1-2H3
InChIKeyZLUQYAQPEKEANY-UHFFFAOYSA-N
XLogP2.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloromethyl 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboxylate?
The IUPAC name of chloromethyl 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboxylate (CID 167431718) is chloromethyl 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboxylate.
What is the SMILES notation for chloromethyl 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboxylate?
The canonical SMILES for chloromethyl 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboxylate is CC1(C)C(=O)N(C2CC2)c2cc(C(=O)OCCl)ccc21.
What is the InChIKey of chloromethyl 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboxylate?
The InChIKey is ZLUQYAQPEKEANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-15(2)11-6-3-9(13(18)20-8-16)7-12(11)17(14(15)19)10-4-5-10/h3,6-7,10H,4-5,8H2,1-2H3.
What are the key properties of chloromethyl 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboxylate?
chloromethyl 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboxylate has a molecular weight of 293.75 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboxylate is sourced from PubChem (CID 167431718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).