7-(diethylamino)-4-(5-hydroxy-1,3-dioxan-2-yl)chromen-2-one

C17H21NO5 — CID 154718163

IUPAC7-(diethylamino)-4-(5-hydroxy-1,3-dioxan-2-yl)chromen-2-one
SMILESCCN(CC)c1ccc2c(C3OCC(O)CO3)cc(=O)oc2c1
InChIInChI=1S/C17H21NO5/c1-3-18(4-2)11-5-6-13-14(8-16(20)23-15(13)7-11)17-21-9-12(19)10-22-17/h5-8,12,17,19H,3-4,9-10H2,1-2H3
InChIKeyUCSDWKAXVMIHIP-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.05
Rot. Bonds4

About 7-(diethylamino)-4-(5-hydroxy-1,3-dioxan-2-yl)chromen-2-one

7-(diethylamino)-4-(5-hydroxy-1,3-dioxan-2-yl)chromen-2-one (PubChem CID 154718163) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is 7-(diethylamino)-4-(5-hydroxy-1,3-dioxan-2-yl)chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-4-(5-hydroxy-1,3-dioxan-2-yl)chromen-2-one
PubChem CID154718163
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name7-(diethylamino)-4-(5-hydroxy-1,3-dioxan-2-yl)chromen-2-one
SMILESCCN(CC)c1ccc2c(C3OCC(O)CO3)cc(=O)oc2c1
InChIInChI=1S/C17H21NO5/c1-3-18(4-2)11-5-6-13-14(8-16(20)23-15(13)7-11)17-21-9-12(19)10-22-17/h5-8,12,17,19H,3-4,9-10H2,1-2H3
InChIKeyUCSDWKAXVMIHIP-UHFFFAOYSA-N
XLogP2.05
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid
CID 174050797
7-(diethylamino)-4-methylchromen-2-one sulfate
CID 23622381
4-azido-7-(diethylamino)chromen-2-one
CID 91426340
7-(diethylamino)-4-[4-(hydroxymethyl)phenyl]chromen-2-one
CID 72546247
7-(diethylamino)-5-methylchromen-2-one
CID 164804520
6,16-bis(diethylamino)-9,19-dioxapentacyclo[10.8.0.02,11.03,8.013,18]icosa-1(12),2(11),3(8),4,6,13(18),14,16-octaene-10,20-dione
CID 142217669
7-(diethylamino)-4-ethylchromene-2-thione
CID 162436645
7-[ethyl(methyl)amino]-4-methylchromen-2-one
CID 142927379
7-(dibutylamino)-4-methylchromen-2-one
CID 57354868
7-(diethylamino)-5-(trifluoromethyl)chromen-2-one
CID 87910268
6-[ethyl-(4-hydroxy-2-oxochromen-7-yl)amino]hexanoic acid
CID 87314574
7-(diethylamino)chromen-2-one;formonitrile
CID 134347975

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-4-(5-hydroxy-1,3-dioxan-2-yl)chromen-2-one?
The IUPAC name of 7-(diethylamino)-4-(5-hydroxy-1,3-dioxan-2-yl)chromen-2-one (CID 154718163) is 7-(diethylamino)-4-(5-hydroxy-1,3-dioxan-2-yl)chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-4-(5-hydroxy-1,3-dioxan-2-yl)chromen-2-one?
The canonical SMILES for 7-(diethylamino)-4-(5-hydroxy-1,3-dioxan-2-yl)chromen-2-one is CCN(CC)c1ccc2c(C3OCC(O)CO3)cc(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-4-(5-hydroxy-1,3-dioxan-2-yl)chromen-2-one?
The InChIKey is UCSDWKAXVMIHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-3-18(4-2)11-5-6-13-14(8-16(20)23-15(13)7-11)17-21-9-12(19)10-22-17/h5-8,12,17,19H,3-4,9-10H2,1-2H3.
What are the key properties of 7-(diethylamino)-4-(5-hydroxy-1,3-dioxan-2-yl)chromen-2-one?
7-(diethylamino)-4-(5-hydroxy-1,3-dioxan-2-yl)chromen-2-one has a molecular weight of 319.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-4-(5-hydroxy-1,3-dioxan-2-yl)chromen-2-one is sourced from PubChem (CID 154718163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).