2-amino-4H-chromen-3-one

C9H9NO2 — CID 154487259

IUPAC2-amino-4H-chromen-3-one
SMILESNC1Oc2ccccc2CC1=O
InChIInChI=1S/C9H9NO2/c10-9-7(11)5-6-3-1-2-4-8(6)12-9/h1-4,9H,5,10H2
InChIKeyTUQVQUVMIDKXEN-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.48
Rot. Bonds

About 2-amino-4H-chromen-3-one

2-amino-4H-chromen-3-one (PubChem CID 154487259) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-amino-4H-chromen-3-one.

Molecular Properties

Compound Name2-amino-4H-chromen-3-one
PubChem CID154487259
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name2-amino-4H-chromen-3-one
SMILESNC1Oc2ccccc2CC1=O
InChIInChI=1S/C9H9NO2/c10-9-7(11)5-6-3-1-2-4-8(6)12-9/h1-4,9H,5,10H2
InChIKeyTUQVQUVMIDKXEN-UHFFFAOYSA-N
XLogP0.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-4H-chromen-3-one
CID 129362501
2-(4-aminophenyl)-4H-chromen-3-one
CID 70503368
2-(3,5-dihydroxyphenyl)-4H-chromen-3-one
CID 146216391
2-(3-methylphenyl)-4H-chromen-3-one
CID 70545875
potassium 5H-benzo[d][1,3]benzodioxocine-11-carboxylate
CID 23713273
2-[4-(trifluoromethylsulfonyl)phenyl]-4H-chromen-3-one
CID 67424419
7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 24975348
9H-xanthene
CID 7107
(7S)-7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 71453803
2-amino-4H-1,4-benzoxazin-3-one
CID 10607101
4H-1,2-benzoxazin-3-one
CID 158155909
2-phenyl-3,4-dihydro-2H-chromen-3-amine
CID 12822974

Frequently Asked Questions

What is the IUPAC name of 2-amino-4H-chromen-3-one?
The IUPAC name of 2-amino-4H-chromen-3-one (CID 154487259) is 2-amino-4H-chromen-3-one.
What is the SMILES notation for 2-amino-4H-chromen-3-one?
The canonical SMILES for 2-amino-4H-chromen-3-one is NC1Oc2ccccc2CC1=O.
What is the InChIKey of 2-amino-4H-chromen-3-one?
The InChIKey is TUQVQUVMIDKXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c10-9-7(11)5-6-3-1-2-4-8(6)12-9/h1-4,9H,5,10H2.
What are the key properties of 2-amino-4H-chromen-3-one?
2-amino-4H-chromen-3-one has a molecular weight of 163.18 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4H-chromen-3-one is sourced from PubChem (CID 154487259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).