10-(dimethylamino)-9-methyl-10H-phenaleno[1,2-b]pyran-7-one

C19H17NO2 — CID 2908173

IUPAC10-(dimethylamino)-9-methyl-10H-phenaleno[1,2-b]pyran-7-one
SMILESCC1=CC2=C(OC1N(C)C)c1cccc3cccc(c13)C2=O
InChIInChI=1S/C19H17NO2/c1-11-10-15-17(21)13-8-4-6-12-7-5-9-14(16(12)13)18(15)22-19(11)20(2)3/h4-10,19H,1-3H3
InChIKeyIIJYHLHWHGZFRM-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.61
Rot. Bonds1

About 10-(dimethylamino)-9-methyl-10H-phenaleno[1,2-b]pyran-7-one

10-(dimethylamino)-9-methyl-10H-phenaleno[1,2-b]pyran-7-one (PubChem CID 2908173) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 10-(dimethylamino)-9-methyl-10H-phenaleno[1,2-b]pyran-7-one.

Molecular Properties

Compound Name10-(dimethylamino)-9-methyl-10H-phenaleno[1,2-b]pyran-7-one
PubChem CID2908173
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name10-(dimethylamino)-9-methyl-10H-phenaleno[1,2-b]pyran-7-one
SMILESCC1=CC2=C(OC1N(C)C)c1cccc3cccc(c13)C2=O
InChIInChI=1S/C19H17NO2/c1-11-10-15-17(21)13-8-4-6-12-7-5-9-14(16(12)13)18(15)22-19(11)20(2)3/h4-10,19H,1-3H3
InChIKeyIIJYHLHWHGZFRM-UHFFFAOYSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 45908
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Frequently Asked Questions

What is the IUPAC name of 10-(dimethylamino)-9-methyl-10H-phenaleno[1,2-b]pyran-7-one?
The IUPAC name of 10-(dimethylamino)-9-methyl-10H-phenaleno[1,2-b]pyran-7-one (CID 2908173) is 10-(dimethylamino)-9-methyl-10H-phenaleno[1,2-b]pyran-7-one.
What is the SMILES notation for 10-(dimethylamino)-9-methyl-10H-phenaleno[1,2-b]pyran-7-one?
The canonical SMILES for 10-(dimethylamino)-9-methyl-10H-phenaleno[1,2-b]pyran-7-one is CC1=CC2=C(OC1N(C)C)c1cccc3cccc(c13)C2=O.
What is the InChIKey of 10-(dimethylamino)-9-methyl-10H-phenaleno[1,2-b]pyran-7-one?
The InChIKey is IIJYHLHWHGZFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-11-10-15-17(21)13-8-4-6-12-7-5-9-14(16(12)13)18(15)22-19(11)20(2)3/h4-10,19H,1-3H3.
What are the key properties of 10-(dimethylamino)-9-methyl-10H-phenaleno[1,2-b]pyran-7-one?
10-(dimethylamino)-9-methyl-10H-phenaleno[1,2-b]pyran-7-one has a molecular weight of 291.35 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(dimethylamino)-9-methyl-10H-phenaleno[1,2-b]pyran-7-one is sourced from PubChem (CID 2908173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).