7-propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one

C15H20N2O — CID 169049689

IUPAC7-propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
SMILESCC(C)c1ccc2c(c1)NC(=O)C1(CCCC1)N2
InChIInChI=1S/C15H20N2O/c1-10(2)11-5-6-12-13(9-11)16-14(18)15(17-12)7-3-4-8-15/h5-6,9-10,17H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyLRXKCMANKMVDQV-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.49
Rot. Bonds1

About 7-propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one

7-propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one (PubChem CID 169049689) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 7-propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name7-propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
PubChem CID169049689
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name7-propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
SMILESCC(C)c1ccc2c(c1)NC(=O)C1(CCCC1)N2
InChIInChI=1S/C15H20N2O/c1-10(2)11-5-6-12-13(9-11)16-14(18)15(17-12)7-3-4-8-15/h5-6,9-10,17H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyLRXKCMANKMVDQV-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one?
The IUPAC name of 7-propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one (CID 169049689) is 7-propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one.
What is the SMILES notation for 7-propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one?
The canonical SMILES for 7-propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one is CC(C)c1ccc2c(c1)NC(=O)C1(CCCC1)N2.
What is the InChIKey of 7-propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one?
The InChIKey is LRXKCMANKMVDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10(2)11-5-6-12-13(9-11)16-14(18)15(17-12)7-3-4-8-15/h5-6,9-10,17H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of 7-propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one?
7-propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one has a molecular weight of 244.34 g/mol, XLogP of 3.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 169049689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).