2-amino-3-(2-amino-3-hydroxypropyl)chromen-4-one

C12H14N2O3 — CID 170893258

IUPAC2-amino-3-(2-amino-3-hydroxypropyl)chromen-4-one
SMILESNc1oc2ccccc2c(=O)c1CC(N)CO
InChIInChI=1S/C12H14N2O3/c13-7(6-15)5-9-11(16)8-3-1-2-4-10(8)17-12(9)14/h1-4,7,15H,5-6,13-14H2
InChIKeyXQIOZGNPBSXQHZ-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.24
Rot. Bonds3

About 2-amino-3-(2-amino-3-hydroxypropyl)chromen-4-one

2-amino-3-(2-amino-3-hydroxypropyl)chromen-4-one (PubChem CID 170893258) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-amino-3-(2-amino-3-hydroxypropyl)chromen-4-one.

Molecular Properties

Compound Name2-amino-3-(2-amino-3-hydroxypropyl)chromen-4-one
PubChem CID170893258
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-amino-3-(2-amino-3-hydroxypropyl)chromen-4-one
SMILESNc1oc2ccccc2c(=O)c1CC(N)CO
InChIInChI=1S/C12H14N2O3/c13-7(6-15)5-9-11(16)8-3-1-2-4-10(8)17-12(9)14/h1-4,7,15H,5-6,13-14H2
InChIKeyXQIOZGNPBSXQHZ-UHFFFAOYSA-N
XLogP0.24
TPSA102.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride
CID 170891747
3-acetyl-2-aminochromen-4-one
CID 23195665
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
3-ethyl-4-oxochromene-2-carboxamide
CID 151195222
2-amino-3-(2,2-dimethylpropanoyl)chromen-4-one
CID 175257537
propane;xanthen-9-one
CID 90876458
13-phenyl-2,4,22-trioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),5,7,9,16,18,20-octaene-11,15-dione
CID 100831307
1-aminobenzo[a]xanthen-12-one
CID 163931413
2-amino-1-benzofuran-3-carboxylic acid
CID 83449008
2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride
CID 170892753
(2R)-2-amino-2-(2-methyl-1-benzofuran-3-yl)ethanol
CID 130731754
ethyl 3-ethyl-4-oxochromene-2-carboxylate
CID 142682858

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-amino-3-hydroxypropyl)chromen-4-one?
The IUPAC name of 2-amino-3-(2-amino-3-hydroxypropyl)chromen-4-one (CID 170893258) is 2-amino-3-(2-amino-3-hydroxypropyl)chromen-4-one.
What is the SMILES notation for 2-amino-3-(2-amino-3-hydroxypropyl)chromen-4-one?
The canonical SMILES for 2-amino-3-(2-amino-3-hydroxypropyl)chromen-4-one is Nc1oc2ccccc2c(=O)c1CC(N)CO.
What is the InChIKey of 2-amino-3-(2-amino-3-hydroxypropyl)chromen-4-one?
The InChIKey is XQIOZGNPBSXQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c13-7(6-15)5-9-11(16)8-3-1-2-4-10(8)17-12(9)14/h1-4,7,15H,5-6,13-14H2.
What are the key properties of 2-amino-3-(2-amino-3-hydroxypropyl)chromen-4-one?
2-amino-3-(2-amino-3-hydroxypropyl)chromen-4-one has a molecular weight of 234.25 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-amino-3-hydroxypropyl)chromen-4-one is sourced from PubChem (CID 170893258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).