3-(dimethylamino)-8,9-dimethylbenzo[f]chromen-1-one

C17H17NO2 — CID 3044964

IUPAC3-(dimethylamino)-8,9-dimethylbenzo[f]chromen-1-one
SMILESCc1cc2ccc3oc(N(C)C)cc(=O)c3c2cc1C
InChIInChI=1S/C17H17NO2/c1-10-7-12-5-6-15-17(13(12)8-11(10)2)14(19)9-16(20-15)18(3)4/h5-9H,1-4H3
InChIKeyBJXBVYTYJRFUJM-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.63
Rot. Bonds1

About 3-(dimethylamino)-8,9-dimethylbenzo[f]chromen-1-one

3-(dimethylamino)-8,9-dimethylbenzo[f]chromen-1-one (PubChem CID 3044964) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(dimethylamino)-8,9-dimethylbenzo[f]chromen-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-8,9-dimethylbenzo[f]chromen-1-one
PubChem CID3044964
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3-(dimethylamino)-8,9-dimethylbenzo[f]chromen-1-one
SMILESCc1cc2ccc3oc(N(C)C)cc(=O)c3c2cc1C
InChIInChI=1S/C17H17NO2/c1-10-7-12-5-6-15-17(13(12)8-11(10)2)14(19)9-16(20-15)18(3)4/h5-9H,1-4H3
InChIKeyBJXBVYTYJRFUJM-UHFFFAOYSA-N
XLogP3.63
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-8,9-dimethylbenzo[f]chromen-1-one?
The IUPAC name of 3-(dimethylamino)-8,9-dimethylbenzo[f]chromen-1-one (CID 3044964) is 3-(dimethylamino)-8,9-dimethylbenzo[f]chromen-1-one.
What is the SMILES notation for 3-(dimethylamino)-8,9-dimethylbenzo[f]chromen-1-one?
The canonical SMILES for 3-(dimethylamino)-8,9-dimethylbenzo[f]chromen-1-one is Cc1cc2ccc3oc(N(C)C)cc(=O)c3c2cc1C.
What is the InChIKey of 3-(dimethylamino)-8,9-dimethylbenzo[f]chromen-1-one?
The InChIKey is BJXBVYTYJRFUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-10-7-12-5-6-15-17(13(12)8-11(10)2)14(19)9-16(20-15)18(3)4/h5-9H,1-4H3.
What are the key properties of 3-(dimethylamino)-8,9-dimethylbenzo[f]chromen-1-one?
3-(dimethylamino)-8,9-dimethylbenzo[f]chromen-1-one has a molecular weight of 267.33 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-8,9-dimethylbenzo[f]chromen-1-one is sourced from PubChem (CID 3044964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).