2-naphthalen-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine

C17H16N2 — CID 28815394

IUPAC2-naphthalen-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
SMILESc1ccc2c(-c3cc4c([nH]3)CCNC4)cccc2c1
InChIInChI=1S/C17H16N2/c1-2-6-14-12(4-1)5-3-7-15(14)17-10-13-11-18-9-8-16(13)19-17/h1-7,10,18-19H,8-9,11H2
InChIKeyTVMYKRXCPWMNPA-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.48
Rot. Bonds1

About 2-naphthalen-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine

2-naphthalen-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine (PubChem CID 28815394) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-naphthalen-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
PubChem CID28815394
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name2-naphthalen-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
SMILESc1ccc2c(-c3cc4c([nH]3)CCNC4)cccc2c1
InChIInChI=1S/C17H16N2/c1-2-6-14-12(4-1)5-3-7-15(14)17-10-13-11-18-9-8-16(13)19-17/h1-7,10,18-19H,8-9,11H2
InChIKeyTVMYKRXCPWMNPA-UHFFFAOYSA-N
XLogP3.48
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CID 28815384
2-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine
CID 84736004
2-(4-ethylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CID 28815415
2-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CID 28814954
1-[[3-methyl-8-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]amino]cyclopropane-1-carbonitrile
CID 123237042
2-naphthalen-1-yl-1H-indole-7-carboxamide
CID 22014944
CID 175282704
CID 175282704
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
2-naphthalen-1-yloxy-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine
CID 151067036

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 2-naphthalen-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine (CID 28815394) is 2-naphthalen-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-naphthalen-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-naphthalen-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine is c1ccc2c(-c3cc4c([nH]3)CCNC4)cccc2c1.
What is the InChIKey of 2-naphthalen-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is TVMYKRXCPWMNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-2-6-14-12(4-1)5-3-7-15(14)17-10-13-11-18-9-8-16(13)19-17/h1-7,10,18-19H,8-9,11H2.
What are the key properties of 2-naphthalen-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
2-naphthalen-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 248.33 g/mol, XLogP of 3.48, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 28815394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).