6-[(1R,2R)-2-phenylmethoxycyclopentyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C19H20N2O2 — CID 50956501

IUPAC6-[(1R,2R)-2-phenylmethoxycyclopentyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2CN1[C@@H]1CCC[C@H]1OCc1ccccc1
InChIInChI=1S/C19H20N2O2/c22-19-15-8-5-11-20-16(15)12-21(19)17-9-4-10-18(17)23-13-14-6-2-1-3-7-14/h1-3,5-8,11,17-18H,4,9-10,12-13H2/t17-,18-/m1/s1
InChIKeyWBCWDGONQUNEBK-QZTJIDSGSA-N
MW308.38 g/mol
LogP3.18
Rot. Bonds4

About 6-[(1R,2R)-2-phenylmethoxycyclopentyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[(1R,2R)-2-phenylmethoxycyclopentyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 50956501) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-[(1R,2R)-2-phenylmethoxycyclopentyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[(1R,2R)-2-phenylmethoxycyclopentyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID50956501
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name6-[(1R,2R)-2-phenylmethoxycyclopentyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2CN1[C@@H]1CCC[C@H]1OCc1ccccc1
InChIInChI=1S/C19H20N2O2/c22-19-15-8-5-11-20-16(15)12-21(19)17-9-4-10-18(17)23-13-14-6-2-1-3-7-14/h1-3,5-8,11,17-18H,4,9-10,12-13H2/t17-,18-/m1/s1
InChIKeyWBCWDGONQUNEBK-QZTJIDSGSA-N
XLogP3.18
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R,2R)-2-phenylmethoxycyclopentyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[(1R,2R)-2-phenylmethoxycyclopentyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 50956501) is 6-[(1R,2R)-2-phenylmethoxycyclopentyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[(1R,2R)-2-phenylmethoxycyclopentyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[(1R,2R)-2-phenylmethoxycyclopentyl]-7H-pyrrolo[3,4-b]pyridin-5-one is O=C1c2cccnc2CN1[C@@H]1CCC[C@H]1OCc1ccccc1.
What is the InChIKey of 6-[(1R,2R)-2-phenylmethoxycyclopentyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is WBCWDGONQUNEBK-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-19-15-8-5-11-20-16(15)12-21(19)17-9-4-10-18(17)23-13-14-6-2-1-3-7-14/h1-3,5-8,11,17-18H,4,9-10,12-13H2/t17-,18-/m1/s1.
What are the key properties of 6-[(1R,2R)-2-phenylmethoxycyclopentyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[(1R,2R)-2-phenylmethoxycyclopentyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 308.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,2R)-2-phenylmethoxycyclopentyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 50956501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).