(2S)-2-amino-2-methyl-3H-chromen-4-one

C10H11NO2 — CID 146872933

IUPAC(2S)-2-amino-2-methyl-3H-chromen-4-one
SMILESC[C@@]1(N)CC(=O)c2ccccc2O1
InChIInChI=1S/C10H11NO2/c1-10(11)6-8(12)7-4-2-3-5-9(7)13-10/h2-5H,6,11H2,1H3/t10-/m0/s1
InChIKeySORBFQBPZQPODE-JTQLQIEISA-N
MW177.20 g/mol
LogP1.33
Rot. Bonds

About (2S)-2-amino-2-methyl-3H-chromen-4-one

(2S)-2-amino-2-methyl-3H-chromen-4-one (PubChem CID 146872933) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (2S)-2-amino-2-methyl-3H-chromen-4-one.

Molecular Properties

Compound Name(2S)-2-amino-2-methyl-3H-chromen-4-one
PubChem CID146872933
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(2S)-2-amino-2-methyl-3H-chromen-4-one
SMILESC[C@@]1(N)CC(=O)c2ccccc2O1
InChIInChI=1S/C10H11NO2/c1-10(11)6-8(12)7-4-2-3-5-9(7)13-10/h2-5H,6,11H2,1H3/t10-/m0/s1
InChIKeySORBFQBPZQPODE-JTQLQIEISA-N
XLogP1.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Xanthone
CID 7020
Chromanone
CID 68110
3-methyl-3,4-dihydro-2H-1-benzopyran-4-one
CID 11073737
2,2-Dimethyl-chroman-4-one
CID 7454290
2,2-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-4-one
CID 717428
2-Amino-5,7-dimethyl-2-(trichloromethyl)-2,3-dihydro-4H-chromen-4-one
CID 605308
3-Aminoflavone
CID 248316
2-methyl-2-propyl-2,3-dihydro-4H-1,3-benzoxazin-4-one
CID 3108850
2-Methylchromone
CID 252690
2,3-Dimethyl-4H-chromen-4-one
CID 378233
2-amino-3-[(E)-(4-oxochromen-3-ylidene)methyl]chromen-4-one
CID 118733386
2-amino-3-[(E)-(4-oxochromen-3-ylidene)methyl]-4a,8a-dihydrochromen-4-one
CID 137645694

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-methyl-3H-chromen-4-one?
The IUPAC name of (2S)-2-amino-2-methyl-3H-chromen-4-one (CID 146872933) is (2S)-2-amino-2-methyl-3H-chromen-4-one.
What is the SMILES notation for (2S)-2-amino-2-methyl-3H-chromen-4-one?
The canonical SMILES for (2S)-2-amino-2-methyl-3H-chromen-4-one is C[C@@]1(N)CC(=O)c2ccccc2O1.
What is the InChIKey of (2S)-2-amino-2-methyl-3H-chromen-4-one?
The InChIKey is SORBFQBPZQPODE-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11NO2/c1-10(11)6-8(12)7-4-2-3-5-9(7)13-10/h2-5H,6,11H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-2-methyl-3H-chromen-4-one?
(2S)-2-amino-2-methyl-3H-chromen-4-one has a molecular weight of 177.20 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-methyl-3H-chromen-4-one is sourced from PubChem (CID 146872933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).