6-butylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one

C15H20N2O2 — CID 20575257

IUPAC6-butylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one
SMILESCCCCc1ccc2c(c1)C1(CCO2)NCNC1=O
InChIInChI=1S/C15H20N2O2/c1-2-3-4-11-5-6-13-12(9-11)15(7-8-19-13)14(18)16-10-17-15/h5-6,9,17H,2-4,7-8,10H2,1H3,(H,16,18)
InChIKeyXYUUYDBSACDPNK-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.68
Rot. Bonds3

About 6-butylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one

6-butylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one (PubChem CID 20575257) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-butylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one.

Molecular Properties

Compound Name6-butylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one
PubChem CID20575257
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name6-butylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one
SMILESCCCCc1ccc2c(c1)C1(CCO2)NCNC1=O
InChIInChI=1S/C15H20N2O2/c1-2-3-4-11-5-6-13-12(9-11)15(7-8-19-13)14(18)16-10-17-15/h5-6,9,17H,2-4,7-8,10H2,1H3,(H,16,18)
InChIKeyXYUUYDBSACDPNK-UHFFFAOYSA-N
XLogP1.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-butylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one?
The IUPAC name of 6-butylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one (CID 20575257) is 6-butylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one.
What is the SMILES notation for 6-butylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one?
The canonical SMILES for 6-butylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one is CCCCc1ccc2c(c1)C1(CCO2)NCNC1=O.
What is the InChIKey of 6-butylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one?
The InChIKey is XYUUYDBSACDPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-3-4-11-5-6-13-12(9-11)15(7-8-19-13)14(18)16-10-17-15/h5-6,9,17H,2-4,7-8,10H2,1H3,(H,16,18).
What are the key properties of 6-butylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one?
6-butylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one has a molecular weight of 260.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one is sourced from PubChem (CID 20575257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).