3-(2-aminoethyl)-4-chloro-3,7-dimethyl-1H-indol-2-one

C12H15ClN2O — CID 82388570

IUPAC3-(2-aminoethyl)-4-chloro-3,7-dimethyl-1H-indol-2-one
SMILESCc1ccc(Cl)c2c1NC(=O)C2(C)CCN
InChIInChI=1S/C12H15ClN2O/c1-7-3-4-8(13)9-10(7)15-11(16)12(9,2)5-6-14/h3-4H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyAZTOIRPGEWOYOZ-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.21
Rot. Bonds2

About 3-(2-aminoethyl)-4-chloro-3,7-dimethyl-1H-indol-2-one

3-(2-aminoethyl)-4-chloro-3,7-dimethyl-1H-indol-2-one (PubChem CID 82388570) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 3-(2-aminoethyl)-4-chloro-3,7-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-4-chloro-3,7-dimethyl-1H-indol-2-one
PubChem CID82388570
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name3-(2-aminoethyl)-4-chloro-3,7-dimethyl-1H-indol-2-one
SMILESCc1ccc(Cl)c2c1NC(=O)C2(C)CCN
InChIInChI=1S/C12H15ClN2O/c1-7-3-4-8(13)9-10(7)15-11(16)12(9,2)5-6-14/h3-4H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyAZTOIRPGEWOYOZ-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-4-chloro-3,7-dimethyl-1H-indol-2-one?
The IUPAC name of 3-(2-aminoethyl)-4-chloro-3,7-dimethyl-1H-indol-2-one (CID 82388570) is 3-(2-aminoethyl)-4-chloro-3,7-dimethyl-1H-indol-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-4-chloro-3,7-dimethyl-1H-indol-2-one?
The canonical SMILES for 3-(2-aminoethyl)-4-chloro-3,7-dimethyl-1H-indol-2-one is Cc1ccc(Cl)c2c1NC(=O)C2(C)CCN.
What is the InChIKey of 3-(2-aminoethyl)-4-chloro-3,7-dimethyl-1H-indol-2-one?
The InChIKey is AZTOIRPGEWOYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-7-3-4-8(13)9-10(7)15-11(16)12(9,2)5-6-14/h3-4H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 3-(2-aminoethyl)-4-chloro-3,7-dimethyl-1H-indol-2-one?
3-(2-aminoethyl)-4-chloro-3,7-dimethyl-1H-indol-2-one has a molecular weight of 238.72 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-4-chloro-3,7-dimethyl-1H-indol-2-one is sourced from PubChem (CID 82388570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).