1-(5-benzyl-1-ethenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)-2,2,2-trifluoroethanone

C18H17F3N2O — CID 6425415

IUPAC1-(5-benzyl-1-ethenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)-2,2,2-trifluoroethanone
SMILESC=Cn1c(C(=O)C(F)(F)F)cc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C18H17F3N2O/c1-2-23-15-8-9-22(11-13-6-4-3-5-7-13)12-14(15)10-16(23)17(24)18(19,20)21/h2-7,10H,1,8-9,11-12H2
InChIKeyHMQHZMAETIDUAQ-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.89
Rot. Bonds4

About 1-(5-benzyl-1-ethenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)-2,2,2-trifluoroethanone

1-(5-benzyl-1-ethenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)-2,2,2-trifluoroethanone (PubChem CID 6425415) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-(5-benzyl-1-ethenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(5-benzyl-1-ethenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)-2,2,2-trifluoroethanone
PubChem CID6425415
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name1-(5-benzyl-1-ethenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)-2,2,2-trifluoroethanone
SMILESC=Cn1c(C(=O)C(F)(F)F)cc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C18H17F3N2O/c1-2-23-15-8-9-22(11-13-6-4-3-5-7-13)12-14(15)10-16(23)17(24)18(19,20)21/h2-7,10H,1,8-9,11-12H2
InChIKeyHMQHZMAETIDUAQ-UHFFFAOYSA-N
XLogP3.89
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-benzyl-1-ethenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)-2,2,2-trifluoroethanone with MolForge

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Related Compounds

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1-[1-(Pyridin-2-Yl)indolizin-3-Yl]ethan-1-One
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CID 919256
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N-{[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylidene}hydroxylamine
CID 6904896
(1-Methyl-1h-indol-2-yl)(4-pyridinyl)methanone
CID 289999
1-[1-(4-Fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methyl-1-piperidinyl)ethanone
CID 675433
1-(1,3-Dimethyl-1H-indol-2-yl)butan-1-one
CID 874753
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CID 1566157
3-[Benzyl(tert-butyl)amino]-1-pyridin-2-ylpropan-1-one
CID 46231615

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-1-ethenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(5-benzyl-1-ethenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)-2,2,2-trifluoroethanone (CID 6425415) is 1-(5-benzyl-1-ethenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(5-benzyl-1-ethenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(5-benzyl-1-ethenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)-2,2,2-trifluoroethanone is C=Cn1c(C(=O)C(F)(F)F)cc2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of 1-(5-benzyl-1-ethenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)-2,2,2-trifluoroethanone?
The InChIKey is HMQHZMAETIDUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c1-2-23-15-8-9-22(11-13-6-4-3-5-7-13)12-14(15)10-16(23)17(24)18(19,20)21/h2-7,10H,1,8-9,11-12H2.
What are the key properties of 1-(5-benzyl-1-ethenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)-2,2,2-trifluoroethanone?
1-(5-benzyl-1-ethenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)-2,2,2-trifluoroethanone has a molecular weight of 334.34 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-1-ethenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 6425415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).