7-(diethylamino)-4-methyl-8,8a-dihydrochromen-2-one

C14H19NO2 — CID 146187302

IUPAC7-(diethylamino)-4-methyl-8,8a-dihydrochromen-2-one
SMILESCCN(CC)C1=CC=C2C(C)=CC(=O)OC2C1
InChIInChI=1S/C14H19NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-8,13H,4-5,9H2,1-3H3
InChIKeyNQVWALQAATWNCK-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.41
Rot. Bonds3

About 7-(diethylamino)-4-methyl-8,8a-dihydrochromen-2-one

7-(diethylamino)-4-methyl-8,8a-dihydrochromen-2-one (PubChem CID 146187302) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 7-(diethylamino)-4-methyl-8,8a-dihydrochromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-4-methyl-8,8a-dihydrochromen-2-one
PubChem CID146187302
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name7-(diethylamino)-4-methyl-8,8a-dihydrochromen-2-one
SMILESCCN(CC)C1=CC=C2C(C)=CC(=O)OC2C1
InChIInChI=1S/C14H19NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-8,13H,4-5,9H2,1-3H3
InChIKeyNQVWALQAATWNCK-UHFFFAOYSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-4-methyl-8,8a-dihydrochromen-2-one?
The IUPAC name of 7-(diethylamino)-4-methyl-8,8a-dihydrochromen-2-one (CID 146187302) is 7-(diethylamino)-4-methyl-8,8a-dihydrochromen-2-one.
What is the SMILES notation for 7-(diethylamino)-4-methyl-8,8a-dihydrochromen-2-one?
The canonical SMILES for 7-(diethylamino)-4-methyl-8,8a-dihydrochromen-2-one is CCN(CC)C1=CC=C2C(C)=CC(=O)OC2C1.
What is the InChIKey of 7-(diethylamino)-4-methyl-8,8a-dihydrochromen-2-one?
The InChIKey is NQVWALQAATWNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-8,13H,4-5,9H2,1-3H3.
What are the key properties of 7-(diethylamino)-4-methyl-8,8a-dihydrochromen-2-one?
7-(diethylamino)-4-methyl-8,8a-dihydrochromen-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-4-methyl-8,8a-dihydrochromen-2-one is sourced from PubChem (CID 146187302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).