7-hydroxy-8-(2-methyliminoethyl)chromen-2-one

C12H11NO3 — CID 167020442

IUPAC7-hydroxy-8-(2-methyliminoethyl)chromen-2-one
SMILESC/N=C/Cc1c(O)ccc2ccc(=O)oc12
InChIInChI=1S/C12H11NO3/c1-13-7-6-9-10(14)4-2-8-3-5-11(15)16-12(8)9/h2-5,7,14H,6H2,1H3/b13-7+
InChIKeyFLKBZOGQVZGNSO-NTUHNPAUSA-N
MW217.22 g/mol
LogP1.74
Rot. Bonds2

About 7-hydroxy-8-(2-methyliminoethyl)chromen-2-one

7-hydroxy-8-(2-methyliminoethyl)chromen-2-one (PubChem CID 167020442) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 7-hydroxy-8-(2-methyliminoethyl)chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-8-(2-methyliminoethyl)chromen-2-one
PubChem CID167020442
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name7-hydroxy-8-(2-methyliminoethyl)chromen-2-one
SMILESC/N=C/Cc1c(O)ccc2ccc(=O)oc12
InChIInChI=1S/C12H11NO3/c1-13-7-6-9-10(14)4-2-8-3-5-11(15)16-12(8)9/h2-5,7,14H,6H2,1H3/b13-7+
InChIKeyFLKBZOGQVZGNSO-NTUHNPAUSA-N
XLogP1.74
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-8-(3-hydroxypropyl)chromen-2-one
CID 145469984
8-[bis(2-chloroethyl)aminomethyl]-7-hydroxychromen-2-one
CID 5474575
2-[(7-hydroxy-2-oxochromen-8-yl)methylamino]propanoic acid
CID 5466064
7-hydroxy-8-[2-(2-hydroxypropan-2-yl)-5-methyl-3-oxohex-4-enyl]chromen-2-one
CID 101311668
8-acetyl-7-hydroxychromen-2-one
CID 5411574
8-(3-methylbut-2-enyl)-2-oxochromen-7-olate
CID 102525261
7-hydroxy-8-[3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl]chromen-2-one
CID 162944477
7-hydroxy-6,8-bis(prop-2-enyl)chromen-2-one
CID 88762106
butanedioic acid;bis(7,8-dihydroxychromen-2-one)
CID 174471020
8-hydroxy-7-methylchromen-2-one
CID 145496971
8-(hydroxymethyl)-7-methoxychromen-2-one
CID 1051542
7-hydroxy-8-[(pyridin-2-ylmethylamino)methyl]chromen-2-one
CID 132551355

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-(2-methyliminoethyl)chromen-2-one?
The IUPAC name of 7-hydroxy-8-(2-methyliminoethyl)chromen-2-one (CID 167020442) is 7-hydroxy-8-(2-methyliminoethyl)chromen-2-one.
What is the SMILES notation for 7-hydroxy-8-(2-methyliminoethyl)chromen-2-one?
The canonical SMILES for 7-hydroxy-8-(2-methyliminoethyl)chromen-2-one is C/N=C/Cc1c(O)ccc2ccc(=O)oc12.
What is the InChIKey of 7-hydroxy-8-(2-methyliminoethyl)chromen-2-one?
The InChIKey is FLKBZOGQVZGNSO-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H11NO3/c1-13-7-6-9-10(14)4-2-8-3-5-11(15)16-12(8)9/h2-5,7,14H,6H2,1H3/b13-7+.
What are the key properties of 7-hydroxy-8-(2-methyliminoethyl)chromen-2-one?
7-hydroxy-8-(2-methyliminoethyl)chromen-2-one has a molecular weight of 217.22 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-(2-methyliminoethyl)chromen-2-one is sourced from PubChem (CID 167020442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).