6-[1-(aminomethyl)cyclobutyl]-1H-quinoxalin-2-one

C13H15N3O — CID 117330714

IUPAC6-[1-(aminomethyl)cyclobutyl]-1H-quinoxalin-2-one
SMILESNCC1(c2ccc3[nH]c(=O)cnc3c2)CCC1
InChIInChI=1S/C13H15N3O/c14-8-13(4-1-5-13)9-2-3-10-11(6-9)15-7-12(17)16-10/h2-3,6-7H,1,4-5,8,14H2,(H,16,17)
InChIKeyBOTBQQGMCWYASP-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.30
Rot. Bonds2

About 6-[1-(aminomethyl)cyclobutyl]-1H-quinoxalin-2-one

6-[1-(aminomethyl)cyclobutyl]-1H-quinoxalin-2-one (PubChem CID 117330714) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-[1-(aminomethyl)cyclobutyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-[1-(aminomethyl)cyclobutyl]-1H-quinoxalin-2-one
PubChem CID117330714
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name6-[1-(aminomethyl)cyclobutyl]-1H-quinoxalin-2-one
SMILESNCC1(c2ccc3[nH]c(=O)cnc3c2)CCC1
InChIInChI=1S/C13H15N3O/c14-8-13(4-1-5-13)9-2-3-10-11(6-9)15-7-12(17)16-10/h2-3,6-7H,1,4-5,8,14H2,(H,16,17)
InChIKeyBOTBQQGMCWYASP-UHFFFAOYSA-N
XLogP1.30
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine
CID 82607892
[1-(9H-carbazol-3-yl)cyclopentyl]methanamine
CID 117415895
[1-(3-methylisoquinolin-7-yl)cyclobutyl]methanamine
CID 117325791
[1-(2-cyclopropyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine
CID 117391802
[1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine
CID 117431672
6-[1-(aminomethyl)cyclopropyl]-3-methyl-1H-quinolin-2-one
CID 116997657
5-[1-(aminomethyl)cyclohexyl]-1,3-dihydroindol-2-one
CID 82497597
[1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclohexyl]methanamine
CID 117454052
[1-(6-chloro-3-pyridinyl)cyclopentyl]methanamine
CID 96865672
[1-(1H-indol-6-yl)cyclohexyl]methanamine
CID 82618652
6-[1-(aminomethyl)cyclohexyl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 117464116
[1-(1H-pyrazol-4-yl)cyclobutyl]methanamine
CID 82417218

Frequently Asked Questions

What is the IUPAC name of 6-[1-(aminomethyl)cyclobutyl]-1H-quinoxalin-2-one?
The IUPAC name of 6-[1-(aminomethyl)cyclobutyl]-1H-quinoxalin-2-one (CID 117330714) is 6-[1-(aminomethyl)cyclobutyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 6-[1-(aminomethyl)cyclobutyl]-1H-quinoxalin-2-one?
The canonical SMILES for 6-[1-(aminomethyl)cyclobutyl]-1H-quinoxalin-2-one is NCC1(c2ccc3[nH]c(=O)cnc3c2)CCC1.
What is the InChIKey of 6-[1-(aminomethyl)cyclobutyl]-1H-quinoxalin-2-one?
The InChIKey is BOTBQQGMCWYASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-8-13(4-1-5-13)9-2-3-10-11(6-9)15-7-12(17)16-10/h2-3,6-7H,1,4-5,8,14H2,(H,16,17).
What are the key properties of 6-[1-(aminomethyl)cyclobutyl]-1H-quinoxalin-2-one?
6-[1-(aminomethyl)cyclobutyl]-1H-quinoxalin-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(aminomethyl)cyclobutyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 117330714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).