9-(aminomethyl)-2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one

C16H17NO3 — CID 54380904

IUPAC9-(aminomethyl)-2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one
SMILESCc1oc2c(CN)c3oc(=O)c(C)c(C)c3cc2c1C
InChIInChI=1S/C16H17NO3/c1-7-8(2)16(18)20-15-11(7)5-12-9(3)10(4)19-14(12)13(15)6-17/h5H,6,17H2,1-4H3
InChIKeyUZVBOVRQZDLCRH-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.23
Rot. Bonds1

About 9-(aminomethyl)-2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one

9-(aminomethyl)-2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one (PubChem CID 54380904) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 9-(aminomethyl)-2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name9-(aminomethyl)-2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one
PubChem CID54380904
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name9-(aminomethyl)-2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one
SMILESCc1oc2c(CN)c3oc(=O)c(C)c(C)c3cc2c1C
InChIInChI=1S/C16H17NO3/c1-7-8(2)16(18)20-15-11(7)5-12-9(3)10(4)19-14(12)13(15)6-17/h5H,6,17H2,1-4H3
InChIKeyUZVBOVRQZDLCRH-UHFFFAOYSA-N
XLogP3.23
TPSA69.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.23
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-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoic acid
CID 906389
2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one
CID 707707
3-(aminomethyl)-9-ethyl-2,5-dimethylfuro[3,2-g]chromen-7-one
CID 59103381
8-(aminomethyl)-7-methoxy-2,3-dimethylchromen-4-one
CID 3050900
7,9,10-trimethyl-1,2,3,4-tetrahydro-[1]benzofuro[6,5-c]isochromen-5-one
CID 707724
3,4,6,8-tetramethylchromen-2-one
CID 71322900
(2S)-2-[3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid
CID 6851181
7-hydroxy-3,4-dimethyl-6,8-bis(prop-2-enyl)chromen-2-one
CID 139981642
9-(2-hydroxyethoxymethyl)-2,3,5-trimethylfuro[3,2-g]chromen-7-one
CID 18421417
2-phenyl-2-[[2-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]acetic acid
CID 4594138
2,3,5,9-tetramethyl-6-(3-oxo-3-piperidin-1-ylpropyl)furo[3,2-g]chromen-7-one
CID 4914261
5-amino-2,3-dimethyl-1-benzofuran-7-carboxylic acid
CID 84673019

Frequently Asked Questions

What is the IUPAC name of 9-(aminomethyl)-2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one?
The IUPAC name of 9-(aminomethyl)-2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one (CID 54380904) is 9-(aminomethyl)-2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 9-(aminomethyl)-2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 9-(aminomethyl)-2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one is Cc1oc2c(CN)c3oc(=O)c(C)c(C)c3cc2c1C.
What is the InChIKey of 9-(aminomethyl)-2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one?
The InChIKey is UZVBOVRQZDLCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-7-8(2)16(18)20-15-11(7)5-12-9(3)10(4)19-14(12)13(15)6-17/h5H,6,17H2,1-4H3.
What are the key properties of 9-(aminomethyl)-2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one?
9-(aminomethyl)-2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one has a molecular weight of 271.32 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(aminomethyl)-2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 54380904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).