(4S)-1-methyl-4-[(3S)-1-methyl-6-oxo-2,3-dihydropyridin-3-yl]-3,4-dihydropyridin-2-one

C12H16N2O2 — CID 146164646

IUPAC(4S)-1-methyl-4-[(3S)-1-methyl-6-oxo-2,3-dihydropyridin-3-yl]-3,4-dihydropyridin-2-one
SMILESCN1C=C[C@H]([C@@H]2C=CC(=O)N(C)C2)CC1=O
InChIInChI=1S/C12H16N2O2/c1-13-6-5-9(7-12(13)16)10-3-4-11(15)14(2)8-10/h3-6,9-10H,7-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyRLBSFAXACZVMKS-VHSXEESVSA-N
MW220.27 g/mol
LogP0.62
Rot. Bonds1

About (4S)-1-methyl-4-[(3S)-1-methyl-6-oxo-2,3-dihydropyridin-3-yl]-3,4-dihydropyridin-2-one

(4S)-1-methyl-4-[(3S)-1-methyl-6-oxo-2,3-dihydropyridin-3-yl]-3,4-dihydropyridin-2-one (PubChem CID 146164646) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (4S)-1-methyl-4-[(3S)-1-methyl-6-oxo-2,3-dihydropyridin-3-yl]-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name(4S)-1-methyl-4-[(3S)-1-methyl-6-oxo-2,3-dihydropyridin-3-yl]-3,4-dihydropyridin-2-one
PubChem CID146164646
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(4S)-1-methyl-4-[(3S)-1-methyl-6-oxo-2,3-dihydropyridin-3-yl]-3,4-dihydropyridin-2-one
SMILESCN1C=C[C@H]([C@@H]2C=CC(=O)N(C)C2)CC1=O
InChIInChI=1S/C12H16N2O2/c1-13-6-5-9(7-12(13)16)10-3-4-11(15)14(2)8-10/h3-6,9-10H,7-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyRLBSFAXACZVMKS-VHSXEESVSA-N
XLogP0.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-4-[(3S)-1-methyl-6-oxo-2,3-dihydropyridin-3-yl]-3,4-dihydropyridin-2-one?
The IUPAC name of (4S)-1-methyl-4-[(3S)-1-methyl-6-oxo-2,3-dihydropyridin-3-yl]-3,4-dihydropyridin-2-one (CID 146164646) is (4S)-1-methyl-4-[(3S)-1-methyl-6-oxo-2,3-dihydropyridin-3-yl]-3,4-dihydropyridin-2-one.
What is the SMILES notation for (4S)-1-methyl-4-[(3S)-1-methyl-6-oxo-2,3-dihydropyridin-3-yl]-3,4-dihydropyridin-2-one?
The canonical SMILES for (4S)-1-methyl-4-[(3S)-1-methyl-6-oxo-2,3-dihydropyridin-3-yl]-3,4-dihydropyridin-2-one is CN1C=C[C@H]([C@@H]2C=CC(=O)N(C)C2)CC1=O.
What is the InChIKey of (4S)-1-methyl-4-[(3S)-1-methyl-6-oxo-2,3-dihydropyridin-3-yl]-3,4-dihydropyridin-2-one?
The InChIKey is RLBSFAXACZVMKS-VHSXEESVSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-13-6-5-9(7-12(13)16)10-3-4-11(15)14(2)8-10/h3-6,9-10H,7-8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (4S)-1-methyl-4-[(3S)-1-methyl-6-oxo-2,3-dihydropyridin-3-yl]-3,4-dihydropyridin-2-one?
(4S)-1-methyl-4-[(3S)-1-methyl-6-oxo-2,3-dihydropyridin-3-yl]-3,4-dihydropyridin-2-one has a molecular weight of 220.27 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-4-[(3S)-1-methyl-6-oxo-2,3-dihydropyridin-3-yl]-3,4-dihydropyridin-2-one is sourced from PubChem (CID 146164646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).