5-benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

C14H16N2 — CID 564587

IUPAC5-benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESc1ccc(CN2CCc3[nH]ccc3C2)cc1
InChIInChI=1S/C14H16N2/c1-2-4-12(5-3-1)10-16-9-7-14-13(11-16)6-8-15-14/h1-6,8,15H,7,9-11H2
InChIKeyRRLDTKNWNRBUBK-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.57
Rot. Bonds2

About 5-benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

5-benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (PubChem CID 564587) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name5-benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
PubChem CID564587
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name5-benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESc1ccc(CN2CCc3[nH]ccc3C2)cc1
InChIInChI=1S/C14H16N2/c1-2-4-12(5-3-1)10-16-9-7-14-13(11-16)6-8-15-14/h1-6,8,15H,7,9-11H2
InChIKeyRRLDTKNWNRBUBK-UHFFFAOYSA-N
XLogP2.57
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 5282443
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CID 91462
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CID 412
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CID 6890
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CID 64961
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CID 9287
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CID 6088
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CID 44668
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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The IUPAC name of 5-benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (CID 564587) is 5-benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 5-benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 5-benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is c1ccc(CN2CCc3[nH]ccc3C2)cc1.
What is the InChIKey of 5-benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The InChIKey is RRLDTKNWNRBUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-4-12(5-3-1)10-16-9-7-14-13(11-16)6-8-15-14/h1-6,8,15H,7,9-11H2.
What are the key properties of 5-benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
5-benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine has a molecular weight of 212.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 564587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).