9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one

C13H11NO3 — CID 131858865

IUPAC9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one
SMILESCc1oc2ccc3c(C)cc(=O)oc3c2c1N
InChIInChI=1S/C13H11NO3/c1-6-5-10(15)17-13-8(6)3-4-9-11(13)12(14)7(2)16-9/h3-5H,14H2,1-2H3
InChIKeyWYNOMXZWPHJFJK-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.74
Rot. Bonds

About 9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one

9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one (PubChem CID 131858865) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one
PubChem CID131858865
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one
SMILESCc1oc2ccc3c(C)cc(=O)oc3c2c1N
InChIInChI=1S/C13H11NO3/c1-6-5-10(15)17-13-8(6)3-4-9-11(13)12(14)7(2)16-9/h3-5H,14H2,1-2H3
InChIKeyWYNOMXZWPHJFJK-UHFFFAOYSA-N
XLogP2.74
TPSA69.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.74
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

4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
4-methylpyrano[2,3-f]chromene-2,8-dione
CID 13165001
4-methylpyrano[2,3-a]xanthene-2,12-dione
CID 13270680
4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate
CID 6975739
2-(diethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide
CID 3058817
4-methyl-9-(4-methylanilino)furo[2,3-h]chromen-2-one
CID 627761
methyl (4-methyl-2,10-dioxopyrano[2,3-f]chromen-8-yl) carbonate
CID 88718270
8,9-bis(ethenyl)-4-methyl-7H-pyrano[2,3-e]indol-2-one
CID 143912464
N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 3058824
8-[[4-(diethylamino)phenyl]diazenyl]-9-hydroxy-4-methylfuro[2,3-h]chromen-2-one
CID 4573532
18-methyl-7,15-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),17,20-octaene-6,16-dione
CID 11666843
4-methyl-9-phenyl-8-[(E)-C-phenylcarbonohydrazonoyl]furo[2,3-h]chromen-2-one
CID 44600693

Frequently Asked Questions

What is the IUPAC name of 9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one?
The IUPAC name of 9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one (CID 131858865) is 9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one?
The canonical SMILES for 9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one is Cc1oc2ccc3c(C)cc(=O)oc3c2c1N.
What is the InChIKey of 9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one?
The InChIKey is WYNOMXZWPHJFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-6-5-10(15)17-13-8(6)3-4-9-11(13)12(14)7(2)16-9/h3-5H,14H2,1-2H3.
What are the key properties of 9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one?
9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one has a molecular weight of 229.23 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 131858865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).