1-chloro-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one

C7H7ClN2O — CID 138112918

IUPAC1-chloro-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one
SMILESO=C1NCCc2c1c[nH]c2Cl
InChIInChI=1S/C7H7ClN2O/c8-6-4-1-2-9-7(11)5(4)3-10-6/h3,10H,1-2H2,(H,9,11)
InChIKeyVXECQEORUQSHAP-UHFFFAOYSA-N
MW170.60 g/mol
LogP0.95
Rot. Bonds

About 1-chloro-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one

1-chloro-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one (PubChem CID 138112918) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 1-chloro-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one.

Molecular Properties

Compound Name1-chloro-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one
PubChem CID138112918
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name1-chloro-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one
SMILESO=C1NCCc2c1c[nH]c2Cl
InChIInChI=1S/C7H7ClN2O/c8-6-4-1-2-9-7(11)5(4)3-10-6/h3,10H,1-2H2,(H,9,11)
InChIKeyVXECQEORUQSHAP-UHFFFAOYSA-N
XLogP0.95
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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5-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-isoquinolin-1-one
CID 129046225
1-(2-aminoethyl)-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-6-one
CID 24764972
5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one
CID 176510971
5-amino-6-[4-(2-aminopropan-2-yl)phenyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 11289432
5-[2-(2-hydroxy-2-methylpropyl)phenyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 167913292
5-[(2,4-dichlorophenyl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one
CID 7385182
2-chloro-N-(5-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)acetamide
CID 146094664
2-(9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
CID 22266697
3-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 162687164
6-tert-butyl-7-chloro-3,4-dihydro-2H-isoquinolin-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one?
The IUPAC name of 1-chloro-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one (CID 138112918) is 1-chloro-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one.
What is the SMILES notation for 1-chloro-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one?
The canonical SMILES for 1-chloro-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one is O=C1NCCc2c1c[nH]c2Cl.
What is the InChIKey of 1-chloro-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one?
The InChIKey is VXECQEORUQSHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O/c8-6-4-1-2-9-7(11)5(4)3-10-6/h3,10H,1-2H2,(H,9,11).
What are the key properties of 1-chloro-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one?
1-chloro-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one has a molecular weight of 170.60 g/mol, XLogP of 0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one is sourced from PubChem (CID 138112918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).