6-benzyl-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-2-one;ethane

C16H22N2O — CID 144859798

IUPAC6-benzyl-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-2-one;ethane
SMILESCC.O=C1CC2=C(CN(Cc3ccccc3)CC2)N1
InChIInChI=1S/C14H16N2O.C2H6/c17-14-8-12-6-7-16(10-13(12)15-14)9-11-4-2-1-3-5-11;1-2/h1-5H,6-10H2,(H,15,17);1-2H3
InChIKeyZIMITQYMIIPIGL-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.69
Rot. Bonds2

About 6-benzyl-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-2-one;ethane

6-benzyl-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-2-one;ethane (PubChem CID 144859798) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 6-benzyl-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-2-one;ethane.

Molecular Properties

Compound Name6-benzyl-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-2-one;ethane
PubChem CID144859798
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name6-benzyl-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-2-one;ethane
SMILESCC.O=C1CC2=C(CN(Cc3ccccc3)CC2)N1
InChIInChI=1S/C14H16N2O.C2H6/c17-14-8-12-6-7-16(10-13(12)15-14)9-11-4-2-1-3-5-11;1-2/h1-5H,6-10H2,(H,15,17);1-2H3
InChIKeyZIMITQYMIIPIGL-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-benzyl-3,3-dimethoxypiperidin-4-one
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4-benzyl-1-ethylpiperazin-2-one;ethane
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(3Z)-1-benzyl-3-(dimethylaminomethylidene)piperidin-4-one
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1-benzyl-1,4-diazepan-5-one;1-methyl-1,4-diazepan-5-one
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CID 153347429

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-2-one;ethane?
The IUPAC name of 6-benzyl-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-2-one;ethane (CID 144859798) is 6-benzyl-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-2-one;ethane.
What is the SMILES notation for 6-benzyl-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-2-one;ethane?
The canonical SMILES for 6-benzyl-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-2-one;ethane is CC.O=C1CC2=C(CN(Cc3ccccc3)CC2)N1.
What is the InChIKey of 6-benzyl-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-2-one;ethane?
The InChIKey is ZIMITQYMIIPIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O.C2H6/c17-14-8-12-6-7-16(10-13(12)15-14)9-11-4-2-1-3-5-11;1-2/h1-5H,6-10H2,(H,15,17);1-2H3.
What are the key properties of 6-benzyl-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-2-one;ethane?
6-benzyl-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-2-one;ethane has a molecular weight of 258.37 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-2-one;ethane is sourced from PubChem (CID 144859798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).