1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-(2-methoxyphenyl)methanone

C15H20N2O2 — CID 53385289

IUPAC1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC2CCNC2C1
InChIInChI=1S/C15H20N2O2/c1-19-14-5-3-2-4-12(14)15(18)17-9-7-11-6-8-16-13(11)10-17/h2-5,11,13,16H,6-10H2,1H3
InChIKeyBLCVWBHAMSWQMO-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.52
Rot. Bonds2

About 1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-(2-methoxyphenyl)methanone

1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-(2-methoxyphenyl)methanone (PubChem CID 53385289) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-(2-methoxyphenyl)methanone
PubChem CID53385289
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC2CCNC2C1
InChIInChI=1S/C15H20N2O2/c1-19-14-5-3-2-4-12(14)15(18)17-9-7-11-6-8-16-13(11)10-17/h2-5,11,13,16H,6-10H2,1H3
InChIKeyBLCVWBHAMSWQMO-UHFFFAOYSA-N
XLogP1.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-(2-methoxyphenyl)methanone with MolForge

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Related Compounds

(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
2-(2-methoxybenzoyl)-3,4,4a,5,7,8,9,9a-octahydro-1H-pyrido[3,4-d]azepin-6-one
CID 134787329
(2,3-dimethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999366
[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 121417327
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl-(2,6-dimethoxyphenyl)methanone
CID 102680141
(4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119592557
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(3-bromopiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 80660088

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-(2-methoxyphenyl)methanone?
The IUPAC name of 1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-(2-methoxyphenyl)methanone (CID 53385289) is 1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-(2-methoxyphenyl)methanone.
What is the SMILES notation for 1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-(2-methoxyphenyl)methanone?
The canonical SMILES for 1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCC2CCNC2C1.
What is the InChIKey of 1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-(2-methoxyphenyl)methanone?
The InChIKey is BLCVWBHAMSWQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-14-5-3-2-4-12(14)15(18)17-9-7-11-6-8-16-13(11)10-17/h2-5,11,13,16H,6-10H2,1H3.
What are the key properties of 1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-(2-methoxyphenyl)methanone?
1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-(2-methoxyphenyl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-(2-methoxyphenyl)methanone is sourced from PubChem (CID 53385289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).