(3-methylfuran-2-yl)-(1,4,5-trimethyl-3,6-dihydro-2H-pyridin-2-yl)methanone

C14H19NO2 — CID 160833277

IUPAC(3-methylfuran-2-yl)-(1,4,5-trimethyl-3,6-dihydro-2H-pyridin-2-yl)methanone
SMILESCC1=C(C)CN(C)C(C(=O)c2occc2C)C1
InChIInChI=1S/C14H19NO2/c1-9-5-6-17-14(9)13(16)12-7-10(2)11(3)8-15(12)4/h5-6,12H,7-8H2,1-4H3
InChIKeySHBVCBDIGKPEBG-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.81
Rot. Bonds2

About (3-methylfuran-2-yl)-(1,4,5-trimethyl-3,6-dihydro-2H-pyridin-2-yl)methanone

(3-methylfuran-2-yl)-(1,4,5-trimethyl-3,6-dihydro-2H-pyridin-2-yl)methanone (PubChem CID 160833277) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-(1,4,5-trimethyl-3,6-dihydro-2H-pyridin-2-yl)methanone.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-(1,4,5-trimethyl-3,6-dihydro-2H-pyridin-2-yl)methanone
PubChem CID160833277
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3-methylfuran-2-yl)-(1,4,5-trimethyl-3,6-dihydro-2H-pyridin-2-yl)methanone
SMILESCC1=C(C)CN(C)C(C(=O)c2occc2C)C1
InChIInChI=1S/C14H19NO2/c1-9-5-6-17-14(9)13(16)12-7-10(2)11(3)8-15(12)4/h5-6,12H,7-8H2,1-4H3
InChIKeySHBVCBDIGKPEBG-UHFFFAOYSA-N
XLogP2.81
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Furan-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one
CID 46231396
1-(4-Furan-2-ylphenyl)-2-pyrrolidin-1-yl-pentan-1-one
CID 11197267
3-[Benzyl(ethyl)amino]-1-(furan-2-yl)propan-1-one
CID 46231399
3-[Benzyl(tert-butyl)amino]-1-(furan-2-yl)propan-1-one
CID 46231451
3-[Benzyl(propan-2-yl)amino]-1-(furan-2-yl)propan-1-one
CID 46231452
3-[Benzyl(propan-2-yl)amino]-1-(5-methylfuran-2-yl)propan-1-one
CID 46232327
1-[(2S)-2-(furan-2-carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 44423978
3-[Benzyl(2-hydroxyethyl)amino]-1-(furan-2-yl)propan-1-one
CID 46231397
3-[Benzyl(methyl)amino]-1-(furan-2-yl)propan-1-one
CID 46231398
3-[Benzyl(methyl)amino]-1-(5-methylfuran-2-yl)propan-1-one
CID 46232324
3-[Benzyl(ethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one
CID 46232325
3-[Benzyl(tert-butyl)amino]-1-(5-methylfuran-2-yl)propan-1-one
CID 46232326

Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-(1,4,5-trimethyl-3,6-dihydro-2H-pyridin-2-yl)methanone?
The IUPAC name of (3-methylfuran-2-yl)-(1,4,5-trimethyl-3,6-dihydro-2H-pyridin-2-yl)methanone (CID 160833277) is (3-methylfuran-2-yl)-(1,4,5-trimethyl-3,6-dihydro-2H-pyridin-2-yl)methanone.
What is the SMILES notation for (3-methylfuran-2-yl)-(1,4,5-trimethyl-3,6-dihydro-2H-pyridin-2-yl)methanone?
The canonical SMILES for (3-methylfuran-2-yl)-(1,4,5-trimethyl-3,6-dihydro-2H-pyridin-2-yl)methanone is CC1=C(C)CN(C)C(C(=O)c2occc2C)C1.
What is the InChIKey of (3-methylfuran-2-yl)-(1,4,5-trimethyl-3,6-dihydro-2H-pyridin-2-yl)methanone?
The InChIKey is SHBVCBDIGKPEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-5-6-17-14(9)13(16)12-7-10(2)11(3)8-15(12)4/h5-6,12H,7-8H2,1-4H3.
What are the key properties of (3-methylfuran-2-yl)-(1,4,5-trimethyl-3,6-dihydro-2H-pyridin-2-yl)methanone?
(3-methylfuran-2-yl)-(1,4,5-trimethyl-3,6-dihydro-2H-pyridin-2-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)-(1,4,5-trimethyl-3,6-dihydro-2H-pyridin-2-yl)methanone is sourced from PubChem (CID 160833277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).