3-chloro-1-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one

C12H15ClN2O — CID 171808269

IUPAC3-chloro-1-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(CC3CC3)c(=O)c1Cl)CNC2
InChIInChI=1S/C12H15ClN2O/c1-7-9-4-14-5-10(9)15(6-8-2-3-8)12(16)11(7)13/h8,14H,2-6H2,1H3
InChIKeyJZMGQLPVPQXRBC-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.82
Rot. Bonds2

About 3-chloro-1-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one

3-chloro-1-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one (PubChem CID 171808269) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 3-chloro-1-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
PubChem CID171808269
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name3-chloro-1-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(CC3CC3)c(=O)c1Cl)CNC2
InChIInChI=1S/C12H15ClN2O/c1-7-9-4-14-5-10(9)15(6-8-2-3-8)12(16)11(7)13/h8,14H,2-6H2,1H3
InChIKeyJZMGQLPVPQXRBC-UHFFFAOYSA-N
XLogP1.82
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The IUPAC name of 3-chloro-1-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one (CID 171808269) is 3-chloro-1-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one.
What is the SMILES notation for 3-chloro-1-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The canonical SMILES for 3-chloro-1-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one is Cc1c2c(n(CC3CC3)c(=O)c1Cl)CNC2.
What is the InChIKey of 3-chloro-1-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The InChIKey is JZMGQLPVPQXRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-7-9-4-14-5-10(9)15(6-8-2-3-8)12(16)11(7)13/h8,14H,2-6H2,1H3.
What are the key properties of 3-chloro-1-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
3-chloro-1-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one has a molecular weight of 238.72 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one is sourced from PubChem (CID 171808269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).