3-(aminomethyl)-9-ethyl-2,5-dimethylfuro[3,2-g]chromen-7-one

C16H17NO3 — CID 59103381

IUPAC3-(aminomethyl)-9-ethyl-2,5-dimethylfuro[3,2-g]chromen-7-one
SMILESCCc1c2oc(=O)cc(C)c2cc2c(CN)c(C)oc12
InChIInChI=1S/C16H17NO3/c1-4-10-15-11(8(2)5-14(18)20-15)6-12-13(7-17)9(3)19-16(10)12/h5-6H,4,7,17H2,1-3H3
InChIKeyCDGLWHRYJPRRQN-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.18
Rot. Bonds2

About 3-(aminomethyl)-9-ethyl-2,5-dimethylfuro[3,2-g]chromen-7-one

3-(aminomethyl)-9-ethyl-2,5-dimethylfuro[3,2-g]chromen-7-one (PubChem CID 59103381) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(aminomethyl)-9-ethyl-2,5-dimethylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name3-(aminomethyl)-9-ethyl-2,5-dimethylfuro[3,2-g]chromen-7-one
PubChem CID59103381
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-(aminomethyl)-9-ethyl-2,5-dimethylfuro[3,2-g]chromen-7-one
SMILESCCc1c2oc(=O)cc(C)c2cc2c(CN)c(C)oc12
InChIInChI=1S/C16H17NO3/c1-4-10-15-11(8(2)5-14(18)20-15)6-12-13(7-17)9(3)19-16(10)12/h5-6H,4,7,17H2,1-3H3
InChIKeyCDGLWHRYJPRRQN-UHFFFAOYSA-N
XLogP3.18
TPSA69.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.18
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

3-(5-aminopentyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 89134120
9-ethyl-5-methylfuro[3,2-g]chromen-7-one
CID 23459775
3-(chloromethyl)-9-methoxy-2,5-dimethylfuro[3,2-g]chromen-7-one
CID 22915343
3-[2-(2-aminoethoxy)ethoxymethyl]-2,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 15461706
3-[[3-(3-aminopropylamino)propylamino]methyl]-2,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 11588794
3-(butoxymethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 59925675
3-(aminomethyl)-4-bromo-2,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 59939081
3-[[3-[4-(3-aminopropylamino)butylamino]propylamino]methyl]-2,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 11711918
2-benzoyl-3-ethyl-5,9-dimethylfuro[3,2-g]chromen-7-one
CID 631400
3-[(4-benzylpiperazin-1-yl)methyl]-2,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 59939080
9-(aminomethyl)-2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one
CID 54380904
8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one
CID 71342682

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-9-ethyl-2,5-dimethylfuro[3,2-g]chromen-7-one?
The IUPAC name of 3-(aminomethyl)-9-ethyl-2,5-dimethylfuro[3,2-g]chromen-7-one (CID 59103381) is 3-(aminomethyl)-9-ethyl-2,5-dimethylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 3-(aminomethyl)-9-ethyl-2,5-dimethylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 3-(aminomethyl)-9-ethyl-2,5-dimethylfuro[3,2-g]chromen-7-one is CCc1c2oc(=O)cc(C)c2cc2c(CN)c(C)oc12.
What is the InChIKey of 3-(aminomethyl)-9-ethyl-2,5-dimethylfuro[3,2-g]chromen-7-one?
The InChIKey is CDGLWHRYJPRRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-4-10-15-11(8(2)5-14(18)20-15)6-12-13(7-17)9(3)19-16(10)12/h5-6H,4,7,17H2,1-3H3.
What are the key properties of 3-(aminomethyl)-9-ethyl-2,5-dimethylfuro[3,2-g]chromen-7-one?
3-(aminomethyl)-9-ethyl-2,5-dimethylfuro[3,2-g]chromen-7-one has a molecular weight of 271.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-9-ethyl-2,5-dimethylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 59103381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).