3-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

C15H16N2O — CID 70842438

IUPAC3-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1CC1CNc2ncccc21
InChIInChI=1S/C15H16N2O/c1-18-14-7-3-2-5-11(14)9-12-10-17-15-13(12)6-4-8-16-15/h2-8,12H,9-10H2,1H3,(H,16,17)
InChIKeyINZQQSQXSBGSFW-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.84
Rot. Bonds3

About 3-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

3-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 70842438) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID70842438
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1CC1CNc2ncccc21
InChIInChI=1S/C15H16N2O/c1-18-14-7-3-2-5-11(14)9-12-10-17-15-13(12)6-4-8-16-15/h2-8,12H,9-10H2,1H3,(H,16,17)
InChIKeyINZQQSQXSBGSFW-UHFFFAOYSA-N
XLogP2.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 70673555
4-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63868794
3-[(2-methoxyphenyl)methyl]piperidin-2-one
CID 104679153
4-[(2-methoxyphenyl)methyl]-2-methylpyrrolidine
CID 23009519
(2R)-2-[(2-methoxyphenyl)methyl]morpholine
CID 58689699
1-(cyclopent-3-en-1-ylmethyl)-2-methoxybenzene
CID 23391764
3-[(2-methoxyphenyl)methyl]oxolan-2-one
CID 12025278
3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89143858
3-methoxy-2-(piperidin-4-ylmethyl)pyridine
CID 103840872
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
4-[(2-methoxyphenyl)methyl]thiolan-3-one
CID 83196911
(2S)-2-(2-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CID 95157871

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 70842438) is 3-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is COc1ccccc1CC1CNc2ncccc21.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is INZQQSQXSBGSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-18-14-7-3-2-5-11(14)9-12-10-17-15-13(12)6-4-8-16-15/h2-8,12H,9-10H2,1H3,(H,16,17).
What are the key properties of 3-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
3-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 240.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70842438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).