4-[[cyclobutyl(methyl)amino]methyl]-7-hydroxychromen-2-one

C15H17NO3 — CID 139011442

IUPAC4-[[cyclobutyl(methyl)amino]methyl]-7-hydroxychromen-2-one
SMILESCN(Cc1cc(=O)oc2cc(O)ccc12)C1CCC1
InChIInChI=1S/C15H17NO3/c1-16(11-3-2-4-11)9-10-7-15(18)19-14-8-12(17)5-6-13(10)14/h5-8,11,17H,2-4,9H2,1H3
InChIKeyFZTZOPMHEBDYNB-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.48
Rot. Bonds3

About 4-[[cyclobutyl(methyl)amino]methyl]-7-hydroxychromen-2-one

4-[[cyclobutyl(methyl)amino]methyl]-7-hydroxychromen-2-one (PubChem CID 139011442) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[[cyclobutyl(methyl)amino]methyl]-7-hydroxychromen-2-one.

Molecular Properties

Compound Name4-[[cyclobutyl(methyl)amino]methyl]-7-hydroxychromen-2-one
PubChem CID139011442
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name4-[[cyclobutyl(methyl)amino]methyl]-7-hydroxychromen-2-one
SMILESCN(Cc1cc(=O)oc2cc(O)ccc12)C1CCC1
InChIInChI=1S/C15H17NO3/c1-16(11-3-2-4-11)9-10-7-15(18)19-14-8-12(17)5-6-13(10)14/h5-8,11,17H,2-4,9H2,1H3
InChIKeyFZTZOPMHEBDYNB-UHFFFAOYSA-N
XLogP2.48
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-4-[[(2-hydroxyphenyl)methyl-methylamino]methyl]chromen-2-one
CID 154798950
7-hydroxy-4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]chromen-2-one
CID 79390669
3-[(7-hydroxy-2-oxochromen-4-yl)methyl-methylamino]propanoic acid
CID 60987026
4-[[3-aminopropyl(methyl)amino]methyl]-7-hydroxychromen-2-one
CID 115319311
7-hydroxy-4-[[1-hydroxypropan-2-yl(methyl)amino]methyl]chromen-2-one
CID 112580823
4-[[cyclohexyl(methyl)amino]methyl]-7-hydroxy-8-methylchromen-2-one
CID 27134592
4-(bromomethyl)-7-hydroxychromen-2-one
CID 5465897
4-[[ethyl(2-hydroxyethyl)amino]methyl]-7-hydroxychromen-2-one
CID 60685720
4-[[cyclopentyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one
CID 16576387
7-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]chromen-2-one
CID 174862975
4-[[azetidin-3-yl(methyl)amino]methyl]-7-bromochromen-2-one
CID 66186453
methyl 2-(7-hydroxy-2-oxochromen-4-yl)acetate
CID 5395514

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclobutyl(methyl)amino]methyl]-7-hydroxychromen-2-one?
The IUPAC name of 4-[[cyclobutyl(methyl)amino]methyl]-7-hydroxychromen-2-one (CID 139011442) is 4-[[cyclobutyl(methyl)amino]methyl]-7-hydroxychromen-2-one.
What is the SMILES notation for 4-[[cyclobutyl(methyl)amino]methyl]-7-hydroxychromen-2-one?
The canonical SMILES for 4-[[cyclobutyl(methyl)amino]methyl]-7-hydroxychromen-2-one is CN(Cc1cc(=O)oc2cc(O)ccc12)C1CCC1.
What is the InChIKey of 4-[[cyclobutyl(methyl)amino]methyl]-7-hydroxychromen-2-one?
The InChIKey is FZTZOPMHEBDYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-16(11-3-2-4-11)9-10-7-15(18)19-14-8-12(17)5-6-13(10)14/h5-8,11,17H,2-4,9H2,1H3.
What are the key properties of 4-[[cyclobutyl(methyl)amino]methyl]-7-hydroxychromen-2-one?
4-[[cyclobutyl(methyl)amino]methyl]-7-hydroxychromen-2-one has a molecular weight of 259.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclobutyl(methyl)amino]methyl]-7-hydroxychromen-2-one is sourced from PubChem (CID 139011442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).