3-cyclohexyl-2-phenyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine

C19H22N2 — CID 86341404

IUPAC3-cyclohexyl-2-phenyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine
SMILESC1=Cc2c([nH]c(-c3ccccc3)c2C2CCCCC2)CN1
InChIInChI=1S/C19H22N2/c1-3-7-14(8-4-1)18-16-11-12-20-13-17(16)21-19(18)15-9-5-2-6-10-15/h2,5-6,9-12,14,20-21H,1,3-4,7-8,13H2
InChIKeyFPGPVSRYAYMWDV-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.80
Rot. Bonds2

About 3-cyclohexyl-2-phenyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine

3-cyclohexyl-2-phenyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine (PubChem CID 86341404) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-cyclohexyl-2-phenyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-cyclohexyl-2-phenyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine
PubChem CID86341404
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name3-cyclohexyl-2-phenyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine
SMILESC1=Cc2c([nH]c(-c3ccccc3)c2C2CCCCC2)CN1
InChIInChI=1S/C19H22N2/c1-3-7-14(8-4-1)18-16-11-12-20-13-17(16)21-19(18)15-9-5-2-6-10-15/h2,5-6,9-12,14,20-21H,1,3-4,7-8,13H2
InChIKeyFPGPVSRYAYMWDV-UHFFFAOYSA-N
XLogP4.80
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-phenyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 3-cyclohexyl-2-phenyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine (CID 86341404) is 3-cyclohexyl-2-phenyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-cyclohexyl-2-phenyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-cyclohexyl-2-phenyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine is C1=Cc2c([nH]c(-c3ccccc3)c2C2CCCCC2)CN1.
What is the InChIKey of 3-cyclohexyl-2-phenyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is FPGPVSRYAYMWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-3-7-14(8-4-1)18-16-11-12-20-13-17(16)21-19(18)15-9-5-2-6-10-15/h2,5-6,9-12,14,20-21H,1,3-4,7-8,13H2.
What are the key properties of 3-cyclohexyl-2-phenyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine?
3-cyclohexyl-2-phenyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 278.40 g/mol, XLogP of 4.80, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-phenyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 86341404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).