4-(2-aminoanilino)-2-methyl-2,3-dihydropyran-6-one

C12H14N2O2 — CID 4140507

IUPAC4-(2-aminoanilino)-2-methyl-2,3-dihydropyran-6-one
SMILESCC1CC(Nc2ccccc2N)=CC(=O)O1
InChIInChI=1S/C12H14N2O2/c1-8-6-9(7-12(15)16-8)14-11-5-3-2-4-10(11)13/h2-5,7-8,14H,6,13H2,1H3
InChIKeyOGANDQBYBDXYGY-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.90
Rot. Bonds2

About 4-(2-aminoanilino)-2-methyl-2,3-dihydropyran-6-one

4-(2-aminoanilino)-2-methyl-2,3-dihydropyran-6-one (PubChem CID 4140507) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(2-aminoanilino)-2-methyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name4-(2-aminoanilino)-2-methyl-2,3-dihydropyran-6-one
PubChem CID4140507
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-(2-aminoanilino)-2-methyl-2,3-dihydropyran-6-one
SMILESCC1CC(Nc2ccccc2N)=CC(=O)O1
InChIInChI=1S/C12H14N2O2/c1-8-6-9(7-12(15)16-8)14-11-5-3-2-4-10(11)13/h2-5,7-8,14H,6,13H2,1H3
InChIKeyOGANDQBYBDXYGY-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-amino-2-methyl-1H-1,5-benzodiazepine-3-carboxylate
CID 3671479
Ethyl 3-(4-fluoroanilino)crotonate
CID 5708448
6-methyl-4-(3-toluidino)-5,6-dihydro-2H-pyran-2-one
CID 5068075
3,11-dimethyl-4,5,10,11-tetrahydropyrano[4,3-b][1,5]benzodiazepin-1(3H)-one
CID 3528549
2H-Pyran-2-one, 5,6-dihydro-6-methyl-4-(phenylamino)-
CID 6914717
4-Anilinofuran-2(5H)-one
CID 89645
Ethyl 3-anilinocrotonate
CID 735753
ethyl (Z)-3-anilinobut-2-enoate
CID 5399016
Ethyl 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate
CID 663767
Methyl (2Z)-2-(3,4-dihydro-3-oxo-2(1H)-quinoxalinylidene)acetate
CID 5582720
3-Phenylamino-but-2-enoic acid ethyl ester
CID 94928
Ethyl 3-(p-acetamidoanilino)crotonate
CID 759385

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoanilino)-2-methyl-2,3-dihydropyran-6-one?
The IUPAC name of 4-(2-aminoanilino)-2-methyl-2,3-dihydropyran-6-one (CID 4140507) is 4-(2-aminoanilino)-2-methyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 4-(2-aminoanilino)-2-methyl-2,3-dihydropyran-6-one?
The canonical SMILES for 4-(2-aminoanilino)-2-methyl-2,3-dihydropyran-6-one is CC1CC(Nc2ccccc2N)=CC(=O)O1.
What is the InChIKey of 4-(2-aminoanilino)-2-methyl-2,3-dihydropyran-6-one?
The InChIKey is OGANDQBYBDXYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-6-9(7-12(15)16-8)14-11-5-3-2-4-10(11)13/h2-5,7-8,14H,6,13H2,1H3.
What are the key properties of 4-(2-aminoanilino)-2-methyl-2,3-dihydropyran-6-one?
4-(2-aminoanilino)-2-methyl-2,3-dihydropyran-6-one has a molecular weight of 218.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoanilino)-2-methyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 4140507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).