(2S)-6-amino-2-ethyl-2-methyl-3H-chromen-4-one

C12H15NO2 — CID 25417253

IUPAC(2S)-6-amino-2-ethyl-2-methyl-3H-chromen-4-one
SMILESCC[C@@]1(C)CC(=O)c2cc(N)ccc2O1
InChIInChI=1S/C12H15NO2/c1-3-12(2)7-10(14)9-6-8(13)4-5-11(9)15-12/h4-6H,3,7,13H2,1-2H3/t12-/m0/s1
InChIKeyMGMIRIXEBOIMGO-LBPRGKRZSA-N
MW205.26 g/mol
LogP2.40
Rot. Bonds1

About (2S)-6-amino-2-ethyl-2-methyl-3H-chromen-4-one

(2S)-6-amino-2-ethyl-2-methyl-3H-chromen-4-one (PubChem CID 25417253) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (2S)-6-amino-2-ethyl-2-methyl-3H-chromen-4-one.

Molecular Properties

Compound Name(2S)-6-amino-2-ethyl-2-methyl-3H-chromen-4-one
PubChem CID25417253
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(2S)-6-amino-2-ethyl-2-methyl-3H-chromen-4-one
SMILESCC[C@@]1(C)CC(=O)c2cc(N)ccc2O1
InChIInChI=1S/C12H15NO2/c1-3-12(2)7-10(14)9-6-8(13)4-5-11(9)15-12/h4-6H,3,7,13H2,1-2H3/t12-/m0/s1
InChIKeyMGMIRIXEBOIMGO-LBPRGKRZSA-N
XLogP2.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 114673827
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3-(2-ethyl-2-methyl-4-oxo-3H-chromen-6-yl)-1,1-bis(2-hydroxyethyl)urea
CID 74239202
6-amino-2,2-diethyl-3H-1,3-benzoxazin-4-one
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6-methoxy-2-methyl-2-propyl-3H-chromen-4-one
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2-(cyclopropylmethyl)-6-fluoro-2-methyl-3H-chromen-4-one
CID 114672007
6-amino-2,2,3-trimethyl-3H-chromen-4-one
CID 19387214
6-acetyl-2-(hydroxymethyl)-2-methyl-3H-chromen-4-one
CID 102064909
(2R)-6-acetyl-2-(hydroxymethyl)-2-methyl-3H-chromen-4-one
CID 162851495
methyl 3-amino-4-cyano-1-(2-ethyl-2-methyl-4-oxo-3H-chromen-6-yl)pyrrole-2-carboxylate
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2-(6-ethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid
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Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-ethyl-2-methyl-3H-chromen-4-one?
The IUPAC name of (2S)-6-amino-2-ethyl-2-methyl-3H-chromen-4-one (CID 25417253) is (2S)-6-amino-2-ethyl-2-methyl-3H-chromen-4-one.
What is the SMILES notation for (2S)-6-amino-2-ethyl-2-methyl-3H-chromen-4-one?
The canonical SMILES for (2S)-6-amino-2-ethyl-2-methyl-3H-chromen-4-one is CC[C@@]1(C)CC(=O)c2cc(N)ccc2O1.
What is the InChIKey of (2S)-6-amino-2-ethyl-2-methyl-3H-chromen-4-one?
The InChIKey is MGMIRIXEBOIMGO-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-12(2)7-10(14)9-6-8(13)4-5-11(9)15-12/h4-6H,3,7,13H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-6-amino-2-ethyl-2-methyl-3H-chromen-4-one?
(2S)-6-amino-2-ethyl-2-methyl-3H-chromen-4-one has a molecular weight of 205.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-ethyl-2-methyl-3H-chromen-4-one is sourced from PubChem (CID 25417253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).