1-[(2,3-dichlorophenyl)methyl]-3a-methyl-3,4,5,6-tetrahydroindol-2-one

C16H17Cl2NO — CID 66918032

IUPAC1-[(2,3-dichlorophenyl)methyl]-3a-methyl-3,4,5,6-tetrahydroindol-2-one
SMILESCC12CCCC=C1N(Cc1cccc(Cl)c1Cl)C(=O)C2
InChIInChI=1S/C16H17Cl2NO/c1-16-8-3-2-7-13(16)19(14(20)9-16)10-11-5-4-6-12(17)15(11)18/h4-7H,2-3,8-10H2,1H3
InChIKeyWTSABVGCCUKORA-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.80
Rot. Bonds2

About 1-[(2,3-dichlorophenyl)methyl]-3a-methyl-3,4,5,6-tetrahydroindol-2-one

1-[(2,3-dichlorophenyl)methyl]-3a-methyl-3,4,5,6-tetrahydroindol-2-one (PubChem CID 66918032) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-3a-methyl-3,4,5,6-tetrahydroindol-2-one.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-3a-methyl-3,4,5,6-tetrahydroindol-2-one
PubChem CID66918032
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-3a-methyl-3,4,5,6-tetrahydroindol-2-one
SMILESCC12CCCC=C1N(Cc1cccc(Cl)c1Cl)C(=O)C2
InChIInChI=1S/C16H17Cl2NO/c1-16-8-3-2-7-13(16)19(14(20)9-16)10-11-5-4-6-12(17)15(11)18/h4-7H,2-3,8-10H2,1H3
InChIKeyWTSABVGCCUKORA-UHFFFAOYSA-N
XLogP4.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-3a-methyl-3,4,5,6-tetrahydroindol-2-one?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-3a-methyl-3,4,5,6-tetrahydroindol-2-one (CID 66918032) is 1-[(2,3-dichlorophenyl)methyl]-3a-methyl-3,4,5,6-tetrahydroindol-2-one.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-3a-methyl-3,4,5,6-tetrahydroindol-2-one?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-3a-methyl-3,4,5,6-tetrahydroindol-2-one is CC12CCCC=C1N(Cc1cccc(Cl)c1Cl)C(=O)C2.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-3a-methyl-3,4,5,6-tetrahydroindol-2-one?
The InChIKey is WTSABVGCCUKORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-16-8-3-2-7-13(16)19(14(20)9-16)10-11-5-4-6-12(17)15(11)18/h4-7H,2-3,8-10H2,1H3.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-3a-methyl-3,4,5,6-tetrahydroindol-2-one?
1-[(2,3-dichlorophenyl)methyl]-3a-methyl-3,4,5,6-tetrahydroindol-2-one has a molecular weight of 310.22 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-3a-methyl-3,4,5,6-tetrahydroindol-2-one is sourced from PubChem (CID 66918032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).