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

C15H20N2O2 — CID 115097285

IUPAC5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
SMILESCOc1cccc2c1N(C(C)C)C1(CCC1)C(=O)N2
InChIInChI=1S/C15H20N2O2/c1-10(2)17-13-11(6-4-7-12(13)19-3)16-14(18)15(17)8-5-9-15/h4,6-7,10H,5,8-9H2,1-3H3,(H,16,18)
InChIKeyNDQDXDQHGVZOHT-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.78
Rot. Bonds2

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

5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one (PubChem CID 115097285) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
PubChem CID115097285
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
SMILESCOc1cccc2c1N(C(C)C)C1(CCC1)C(=O)N2
InChIInChI=1S/C15H20N2O2/c1-10(2)17-13-11(6-4-7-12(13)19-3)16-14(18)15(17)8-5-9-15/h4,6-7,10H,5,8-9H2,1-3H3,(H,16,18)
InChIKeyNDQDXDQHGVZOHT-UHFFFAOYSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097275
5-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097635
4-ethyl-5-methoxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115097958
8-methoxyspiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-3-one
CID 115097235
8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one
CID 115097204
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-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097791
7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097456
5-bromo-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097278
5-chloro-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097277
9-methoxyspiro[2,5-dihydro-1,5-benzothiazepine-3,1'-cyclopentane]-4-one
CID 115099479

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
The IUPAC name of 5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one (CID 115097285) is 5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one.
What is the SMILES notation for 5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
The canonical SMILES for 5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one is COc1cccc2c1N(C(C)C)C1(CCC1)C(=O)N2.
What is the InChIKey of 5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
The InChIKey is NDQDXDQHGVZOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)17-13-11(6-4-7-12(13)19-3)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-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one has a molecular weight of 260.34 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one is sourced from PubChem (CID 115097285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).