7-[1-(aminomethyl)cyclobutyl]-1,5-dimethyl-3H-indol-2-one

C15H20N2O — CID 117363020

IUPAC7-[1-(aminomethyl)cyclobutyl]-1,5-dimethyl-3H-indol-2-one
SMILESCc1cc2c(c(C3(CN)CCC3)c1)N(C)C(=O)C2
InChIInChI=1S/C15H20N2O/c1-10-6-11-8-13(18)17(2)14(11)12(7-10)15(9-16)4-3-5-15/h6-7H,3-5,8-9,16H2,1-2H3
InChIKeyNBODXFZMCMIBPS-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.89
Rot. Bonds2

About 7-[1-(aminomethyl)cyclobutyl]-1,5-dimethyl-3H-indol-2-one

7-[1-(aminomethyl)cyclobutyl]-1,5-dimethyl-3H-indol-2-one (PubChem CID 117363020) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 7-[1-(aminomethyl)cyclobutyl]-1,5-dimethyl-3H-indol-2-one.

Molecular Properties

Compound Name7-[1-(aminomethyl)cyclobutyl]-1,5-dimethyl-3H-indol-2-one
PubChem CID117363020
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name7-[1-(aminomethyl)cyclobutyl]-1,5-dimethyl-3H-indol-2-one
SMILESCc1cc2c(c(C3(CN)CCC3)c1)N(C)C(=O)C2
InChIInChI=1S/C15H20N2O/c1-10-6-11-8-13(18)17(2)14(11)12(7-10)15(9-16)4-3-5-15/h6-7H,3-5,8-9,16H2,1-2H3
InChIKeyNBODXFZMCMIBPS-UHFFFAOYSA-N
XLogP1.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-[(E)-3-aminoprop-1-enyl]-1,5-dimethyl-3H-indol-2-one
CID 117308369
2-[1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopropyl]acetic acid
CID 117364769
[1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine
CID 117284015
[1-(2,5-dimethylphenyl)cyclopentyl]methanamine
CID 82491829
[1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320250
3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol
CID 117352123
[1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117377027
2-[1-(aminomethyl)cyclohexyl]-4-methylphenol
CID 82615959
2-[1-(aminomethyl)cyclobutyl]-5-methylphenol
CID 82604285
[1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine
CID 117453314
[1-(1,2,5-trimethylpyrrol-3-yl)cyclohexyl]methanamine
CID 82494187
[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopentyl]methanamine
CID 117371080

Frequently Asked Questions

What is the IUPAC name of 7-[1-(aminomethyl)cyclobutyl]-1,5-dimethyl-3H-indol-2-one?
The IUPAC name of 7-[1-(aminomethyl)cyclobutyl]-1,5-dimethyl-3H-indol-2-one (CID 117363020) is 7-[1-(aminomethyl)cyclobutyl]-1,5-dimethyl-3H-indol-2-one.
What is the SMILES notation for 7-[1-(aminomethyl)cyclobutyl]-1,5-dimethyl-3H-indol-2-one?
The canonical SMILES for 7-[1-(aminomethyl)cyclobutyl]-1,5-dimethyl-3H-indol-2-one is Cc1cc2c(c(C3(CN)CCC3)c1)N(C)C(=O)C2.
What is the InChIKey of 7-[1-(aminomethyl)cyclobutyl]-1,5-dimethyl-3H-indol-2-one?
The InChIKey is NBODXFZMCMIBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-6-11-8-13(18)17(2)14(11)12(7-10)15(9-16)4-3-5-15/h6-7H,3-5,8-9,16H2,1-2H3.
What are the key properties of 7-[1-(aminomethyl)cyclobutyl]-1,5-dimethyl-3H-indol-2-one?
7-[1-(aminomethyl)cyclobutyl]-1,5-dimethyl-3H-indol-2-one has a molecular weight of 244.34 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(aminomethyl)cyclobutyl]-1,5-dimethyl-3H-indol-2-one is sourced from PubChem (CID 117363020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).