(2R)-4-methyl-2-[[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]methyl]-2,3-dihydropyran-6-one

C13H19NO2 — CID 12000520

IUPAC(2R)-4-methyl-2-[[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]methyl]-2,3-dihydropyran-6-one
SMILESCC1=CC(=O)O[C@@H](C[C@@H]2C=CCCN2C)C1
InChIInChI=1S/C13H19NO2/c1-10-7-12(16-13(15)8-10)9-11-5-3-4-6-14(11)2/h3,5,8,11-12H,4,6-7,9H2,1-2H3/t11-,12+/m0/s1
InChIKeyMISNUWNRMKXOQQ-NWDGAFQWSA-N
MW221.30 g/mol
LogP1.90
Rot. Bonds2

About (2R)-4-methyl-2-[[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]methyl]-2,3-dihydropyran-6-one

(2R)-4-methyl-2-[[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]methyl]-2,3-dihydropyran-6-one (PubChem CID 12000520) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]methyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]methyl]-2,3-dihydropyran-6-one
PubChem CID12000520
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2R)-4-methyl-2-[[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]methyl]-2,3-dihydropyran-6-one
SMILESCC1=CC(=O)O[C@@H](C[C@@H]2C=CCCN2C)C1
InChIInChI=1S/C13H19NO2/c1-10-7-12(16-13(15)8-10)9-11-5-3-4-6-14(11)2/h3,5,8,11-12H,4,6-7,9H2,1-2H3/t11-,12+/m0/s1
InChIKeyMISNUWNRMKXOQQ-NWDGAFQWSA-N
XLogP1.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-4-methyl-2-[[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]methyl]-2,3-dihydropyran-6-one with MolForge

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Related Compounds

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CID 13858447
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CID 12000570
[(1S,4R)-4-(diethylamino)cyclohex-2-en-1-yl] acetate
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[(1R,4S)-4-(diethylamino)cyclohex-2-en-1-yl] acetate
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CID 146187302
[(1R,4R)-4-(diethylamino)cyclohex-2-en-1-yl] acetate
CID 10656138
[(1S,4S)-4-(diethylamino)cyclohex-2-en-1-yl] acetate
CID 10680016
[(E)-4-ethoxy-4-oxobut-2-enyl]-[(6E)-8-methoxy-2,6-dimethylocta-1,6-dien-3-yl]-dimethylazanium
CID 11069494
[(1R,4S)-4-[bis(prop-2-enyl)amino]cyclohex-2-en-1-yl] acetate
CID 15268436
ethyl (2E)-2-(1,2-dimethylpiperidin-3-ylidene)acetate
CID 83847801
ethyl (2E)-2-(2-ethyl-1-methylpiperidin-3-ylidene)acetate
CID 83848874

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]methyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-4-methyl-2-[[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]methyl]-2,3-dihydropyran-6-one (CID 12000520) is (2R)-4-methyl-2-[[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]methyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-4-methyl-2-[[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]methyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-4-methyl-2-[[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]methyl]-2,3-dihydropyran-6-one is CC1=CC(=O)O[C@@H](C[C@@H]2C=CCCN2C)C1.
What is the InChIKey of (2R)-4-methyl-2-[[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]methyl]-2,3-dihydropyran-6-one?
The InChIKey is MISNUWNRMKXOQQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-7-12(16-13(15)8-10)9-11-5-3-4-6-14(11)2/h3,5,8,11-12H,4,6-7,9H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (2R)-4-methyl-2-[[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]methyl]-2,3-dihydropyran-6-one?
(2R)-4-methyl-2-[[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]methyl]-2,3-dihydropyran-6-one has a molecular weight of 221.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]methyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 12000520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).