5-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one

C16H23FN2O2 — CID 131683304

IUPAC5-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
SMILESO=C1C2CN(C(=O)C3(F)CCC3)CC2CCN1CC1CC1
InChIInChI=1S/C16H23FN2O2/c17-16(5-1-6-16)15(21)19-9-12-4-7-18(8-11-2-3-11)14(20)13(12)10-19/h11-13H,1-10H2
InChIKeyOXDRVKMNTKPSLH-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.60
Rot. Bonds3

About 5-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one

5-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one (PubChem CID 131683304) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
PubChem CID131683304
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name5-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
SMILESO=C1C2CN(C(=O)C3(F)CCC3)CC2CCN1CC1CC1
InChIInChI=1S/C16H23FN2O2/c17-16(5-1-6-16)15(21)19-9-12-4-7-18(8-11-2-3-11)14(20)13(12)10-19/h11-13H,1-10H2
InChIKeyOXDRVKMNTKPSLH-UHFFFAOYSA-N
XLogP1.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
The IUPAC name of 5-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one (CID 131683304) is 5-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
The canonical SMILES for 5-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one is O=C1C2CN(C(=O)C3(F)CCC3)CC2CCN1CC1CC1.
What is the InChIKey of 5-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
The InChIKey is OXDRVKMNTKPSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c17-16(5-1-6-16)15(21)19-9-12-4-7-18(8-11-2-3-11)14(20)13(12)10-19/h11-13H,1-10H2.
What are the key properties of 5-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
5-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one has a molecular weight of 294.37 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one is sourced from PubChem (CID 131683304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).