[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C16H19NO2 — CID 126427595

IUPAC[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCN(C(=O)c2ccc3c(c2)C[C@H](C)O3)CC1
InChIInChI=1S/C16H19NO2/c1-11-5-7-17(8-6-11)16(18)13-3-4-15-14(10-13)9-12(2)19-15/h3-5,10,12H,6-9H2,1-2H3/t12-/m0/s1
InChIKeyUNBAHCRRPJBABI-LBPRGKRZSA-N
MW257.33 g/mol
LogP2.80
Rot. Bonds1

About [(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 126427595) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is [(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID126427595
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCN(C(=O)c2ccc3c(c2)C[C@H](C)O3)CC1
InChIInChI=1S/C16H19NO2/c1-11-5-7-17(8-6-11)16(18)13-3-4-15-14(10-13)9-12(2)19-15/h3-5,10,12H,6-9H2,1-2H3/t12-/m0/s1
InChIKeyUNBAHCRRPJBABI-LBPRGKRZSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzoic acid
CID 113352939
2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid
CID 43297113
4-methyl-9-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 119073758
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trimethylphenyl)methanone
CID 43297079
2-chloro-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 43297026
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476480
4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid
CID 113352940
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101051
4-imidazol-1-yl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl]piperidine-4-carboxylic acid
CID 95871370
cyclobutyl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297096
(3-bromo-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 81471610

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 126427595) is [(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CC1=CCN(C(=O)c2ccc3c(c2)C[C@H](C)O3)CC1.
What is the InChIKey of [(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is UNBAHCRRPJBABI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-5-7-17(8-6-11)16(18)13-3-4-15-14(10-13)9-12(2)19-15/h3-5,10,12H,6-9H2,1-2H3/t12-/m0/s1.
What are the key properties of [(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 257.33 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 126427595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).