3-(cyclobutylmethylamino)-4,6-dimethyl-1,3-dihydroindol-2-one

C15H20N2O — CID 114994359

IUPAC3-(cyclobutylmethylamino)-4,6-dimethyl-1,3-dihydroindol-2-one
SMILESCc1cc(C)c2c(c1)NC(=O)C2NCC1CCC1
InChIInChI=1S/C15H20N2O/c1-9-6-10(2)13-12(7-9)17-15(18)14(13)16-8-11-4-3-5-11/h6-7,11,14,16H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyWYDZWASXEZVDIZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.69
Rot. Bonds3

About 3-(cyclobutylmethylamino)-4,6-dimethyl-1,3-dihydroindol-2-one

3-(cyclobutylmethylamino)-4,6-dimethyl-1,3-dihydroindol-2-one (PubChem CID 114994359) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(cyclobutylmethylamino)-4,6-dimethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(cyclobutylmethylamino)-4,6-dimethyl-1,3-dihydroindol-2-one
PubChem CID114994359
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(cyclobutylmethylamino)-4,6-dimethyl-1,3-dihydroindol-2-one
SMILESCc1cc(C)c2c(c1)NC(=O)C2NCC1CCC1
InChIInChI=1S/C15H20N2O/c1-9-6-10(2)13-12(7-9)17-15(18)14(13)16-8-11-4-3-5-11/h6-7,11,14,16H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyWYDZWASXEZVDIZ-UHFFFAOYSA-N
XLogP2.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethylamino)-4,6-dimethyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(cyclobutylmethylamino)-4,6-dimethyl-1,3-dihydroindol-2-one (CID 114994359) is 3-(cyclobutylmethylamino)-4,6-dimethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(cyclobutylmethylamino)-4,6-dimethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(cyclobutylmethylamino)-4,6-dimethyl-1,3-dihydroindol-2-one is Cc1cc(C)c2c(c1)NC(=O)C2NCC1CCC1.
What is the InChIKey of 3-(cyclobutylmethylamino)-4,6-dimethyl-1,3-dihydroindol-2-one?
The InChIKey is WYDZWASXEZVDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-9-6-10(2)13-12(7-9)17-15(18)14(13)16-8-11-4-3-5-11/h6-7,11,14,16H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of 3-(cyclobutylmethylamino)-4,6-dimethyl-1,3-dihydroindol-2-one?
3-(cyclobutylmethylamino)-4,6-dimethyl-1,3-dihydroindol-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethylamino)-4,6-dimethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 114994359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).