5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one

C15H20N2O — CID 115097275

IUPAC5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
SMILESCc1cccc2c1N(C(C)C)C1(CCC1)C(=O)N2
InChIInChI=1S/C15H20N2O/c1-10(2)17-13-11(3)6-4-7-12(13)16-14(18)15(17)8-5-9-15/h4,6-7,10H,5,8-9H2,1-3H3,(H,16,18)
InChIKeyIPJNSYGQEWSMDZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.08
Rot. Bonds1

About 5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one

5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one (PubChem CID 115097275) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
PubChem CID115097275
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
SMILESCc1cccc2c1N(C(C)C)C1(CCC1)C(=O)N2
InChIInChI=1S/C15H20N2O/c1-10(2)17-13-11(3)6-4-7-12(13)16-14(18)15(17)8-5-9-15/h4,6-7,10H,5,8-9H2,1-3H3,(H,16,18)
InChIKeyIPJNSYGQEWSMDZ-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097635
5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097285
4-ethyl-5-methylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097630
8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097371
7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097456
5-methyl-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097965
5-chloro-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097277
5-bromo-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097278
6-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098186
7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097791
8-hydroxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098042
4-ethyl-5-fluorospiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
CID 115096911

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
The IUPAC name of 5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one (CID 115097275) is 5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one.
What is the SMILES notation for 5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
The canonical SMILES for 5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one is Cc1cccc2c1N(C(C)C)C1(CCC1)C(=O)N2.
What is the InChIKey of 5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
The InChIKey is IPJNSYGQEWSMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10(2)17-13-11(3)6-4-7-12(13)16-14(18)15(17)8-5-9-15/h4,6-7,10H,5,8-9H2,1-3H3,(H,16,18).
What are the key properties of 5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one has a molecular weight of 244.34 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one is sourced from PubChem (CID 115097275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).