7-[2-hydroxyethyl(methyl)amino]chromen-2-one

C12H13NO3 — CID 87789363

IUPAC7-[2-hydroxyethyl(methyl)amino]chromen-2-one
SMILESCN(CCO)c1ccc2ccc(=O)oc2c1
InChIInChI=1S/C12H13NO3/c1-13(6-7-14)10-4-2-9-3-5-12(15)16-11(9)8-10/h2-5,8,14H,6-7H2,1H3
InChIKeyVRZQHPDEABGZTP-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.22
Rot. Bonds3

About 7-[2-hydroxyethyl(methyl)amino]chromen-2-one

7-[2-hydroxyethyl(methyl)amino]chromen-2-one (PubChem CID 87789363) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 7-[2-hydroxyethyl(methyl)amino]chromen-2-one.

Molecular Properties

Compound Name7-[2-hydroxyethyl(methyl)amino]chromen-2-one
PubChem CID87789363
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name7-[2-hydroxyethyl(methyl)amino]chromen-2-one
SMILESCN(CCO)c1ccc2ccc(=O)oc2c1
InChIInChI=1S/C12H13NO3/c1-13(6-7-14)10-4-2-9-3-5-12(15)16-11(9)8-10/h2-5,8,14H,6-7H2,1H3
InChIKeyVRZQHPDEABGZTP-UHFFFAOYSA-N
XLogP1.22
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-7-diethylaminocoumarin
CID 7050
Damc
CID 6867
7-Diethylaminocoumarin
CID 88598
2H-1-Benzopyran-2-one, 3-acetyl-7-(diethylamino)-
CID 688763
2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester
CID 120014
7-(Diethylamino)-4-hydroxy-2H-1-benzopyran-2-one
CID 54680650
7-Diethylaminocoumarin-3-carboxylic acid
CID 659294
7-(Diethylamino)coumarin-3-carbonitrile
CID 688937
Coumarin 35
CID 94523
Coumarin 2
CID 96929
Coumarin 152
CID 104522
N-(7-Dimethylamino-4-methyl-3-coumarinyl)maleimide
CID 93302

Frequently Asked Questions

What is the IUPAC name of 7-[2-hydroxyethyl(methyl)amino]chromen-2-one?
The IUPAC name of 7-[2-hydroxyethyl(methyl)amino]chromen-2-one (CID 87789363) is 7-[2-hydroxyethyl(methyl)amino]chromen-2-one.
What is the SMILES notation for 7-[2-hydroxyethyl(methyl)amino]chromen-2-one?
The canonical SMILES for 7-[2-hydroxyethyl(methyl)amino]chromen-2-one is CN(CCO)c1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-[2-hydroxyethyl(methyl)amino]chromen-2-one?
The InChIKey is VRZQHPDEABGZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-13(6-7-14)10-4-2-9-3-5-12(15)16-11(9)8-10/h2-5,8,14H,6-7H2,1H3.
What are the key properties of 7-[2-hydroxyethyl(methyl)amino]chromen-2-one?
7-[2-hydroxyethyl(methyl)amino]chromen-2-one has a molecular weight of 219.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-hydroxyethyl(methyl)amino]chromen-2-one is sourced from PubChem (CID 87789363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).