5-[amino-(2-methylcyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one

C15H20N2O — CID 80500009

IUPAC5-[amino-(2-methylcyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one
SMILESCC1CC1C(N)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C15H20N2O/c1-8-6-10(8)13(16)9-4-5-12-11(7-9)15(2,3)14(18)17-12/h4-5,7-8,10,13H,6,16H2,1-3H3,(H,17,18)
InChIKeySPHXYYAPIGZAGS-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.57
Rot. Bonds2

About 5-[amino-(2-methylcyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one

5-[amino-(2-methylcyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one (PubChem CID 80500009) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-[amino-(2-methylcyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-[amino-(2-methylcyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one
PubChem CID80500009
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-[amino-(2-methylcyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one
SMILESCC1CC1C(N)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C15H20N2O/c1-8-6-10(8)13(16)9-4-5-12-11(7-9)15(2,3)14(18)17-12/h4-5,7-8,10,13H,6,16H2,1-3H3,(H,17,18)
InChIKeySPHXYYAPIGZAGS-UHFFFAOYSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[amino-(2-methylcyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-[amino-(2-methylcyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one (CID 80500009) is 5-[amino-(2-methylcyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-[amino-(2-methylcyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-[amino-(2-methylcyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one is CC1CC1C(N)c1ccc2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of 5-[amino-(2-methylcyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is SPHXYYAPIGZAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-8-6-10(8)13(16)9-4-5-12-11(7-9)15(2,3)14(18)17-12/h4-5,7-8,10,13H,6,16H2,1-3H3,(H,17,18).
What are the key properties of 5-[amino-(2-methylcyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one?
5-[amino-(2-methylcyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(2-methylcyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 80500009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).