1-(furan-2-yl)-2-methyl-3-(1-methylindazol-3-yl)propane-1,3-dione

C16H14N2O3 — CID 103119304

IUPAC1-(furan-2-yl)-2-methyl-3-(1-methylindazol-3-yl)propane-1,3-dione
SMILESCC(C(=O)c1ccco1)C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C16H14N2O3/c1-10(15(19)13-8-5-9-21-13)16(20)14-11-6-3-4-7-12(11)18(2)17-14/h3-10H,1-2H3
InChIKeyOTLMMJMWBRKTFN-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.87
Rot. Bonds4

About 1-(furan-2-yl)-2-methyl-3-(1-methylindazol-3-yl)propane-1,3-dione

1-(furan-2-yl)-2-methyl-3-(1-methylindazol-3-yl)propane-1,3-dione (PubChem CID 103119304) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-methyl-3-(1-methylindazol-3-yl)propane-1,3-dione.

Molecular Properties

Compound Name1-(furan-2-yl)-2-methyl-3-(1-methylindazol-3-yl)propane-1,3-dione
PubChem CID103119304
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name1-(furan-2-yl)-2-methyl-3-(1-methylindazol-3-yl)propane-1,3-dione
SMILESCC(C(=O)c1ccco1)C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C16H14N2O3/c1-10(15(19)13-8-5-9-21-13)16(20)14-11-6-3-4-7-12(11)18(2)17-14/h3-10H,1-2H3
InChIKeyOTLMMJMWBRKTFN-UHFFFAOYSA-N
XLogP2.87
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
CID 15262340
3-(1-methylindazole-3-carbonyl)pentane-2,4-dione
CID 103119426
2-methyl-1-(1-methylindazol-3-yl)pentan-1-one
CID 107891232
3-methyl-2-(1-methylindazole-3-carbonyl)butanenitrile
CID 103118535
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
N-benzyl-N,1-dimethylindazole-3-carboxamide
CID 110851100
3-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116476
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185
2-[(1-methylindazole-3-carbonyl)-propan-2-ylamino]acetic acid
CID 103116549
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
1-(1-methylindazol-3-yl)-3-phenylpropane-1,3-dione
CID 103119110
1-(1-methylindazol-3-yl)-2-(4-methylphenyl)ethanone
CID 103123957

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-methyl-3-(1-methylindazol-3-yl)propane-1,3-dione?
The IUPAC name of 1-(furan-2-yl)-2-methyl-3-(1-methylindazol-3-yl)propane-1,3-dione (CID 103119304) is 1-(furan-2-yl)-2-methyl-3-(1-methylindazol-3-yl)propane-1,3-dione.
What is the SMILES notation for 1-(furan-2-yl)-2-methyl-3-(1-methylindazol-3-yl)propane-1,3-dione?
The canonical SMILES for 1-(furan-2-yl)-2-methyl-3-(1-methylindazol-3-yl)propane-1,3-dione is CC(C(=O)c1ccco1)C(=O)c1nn(C)c2ccccc12.
What is the InChIKey of 1-(furan-2-yl)-2-methyl-3-(1-methylindazol-3-yl)propane-1,3-dione?
The InChIKey is OTLMMJMWBRKTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10(15(19)13-8-5-9-21-13)16(20)14-11-6-3-4-7-12(11)18(2)17-14/h3-10H,1-2H3.
What are the key properties of 1-(furan-2-yl)-2-methyl-3-(1-methylindazol-3-yl)propane-1,3-dione?
1-(furan-2-yl)-2-methyl-3-(1-methylindazol-3-yl)propane-1,3-dione has a molecular weight of 282.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-methyl-3-(1-methylindazol-3-yl)propane-1,3-dione is sourced from PubChem (CID 103119304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).