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

C15H21FN2O2 — CID 131685007

IUPAC2-(1-fluorocyclobutanecarbonyl)-5-prop-2-enyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
SMILESC=CCN1CCC2CN(C(=O)C3(F)CCC3)CC2C1=O
InChIInChI=1S/C15H21FN2O2/c1-2-7-17-8-4-11-9-18(10-12(11)13(17)19)14(20)15(16)5-3-6-15/h2,11-12H,1,3-10H2
InChIKeyPOMKFXIXPFMRFJ-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.37
Rot. Bonds3

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

2-(1-fluorocyclobutanecarbonyl)-5-prop-2-enyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one (PubChem CID 131685007) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-(1-fluorocyclobutanecarbonyl)-5-prop-2-enyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-(1-fluorocyclobutanecarbonyl)-5-prop-2-enyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
PubChem CID131685007
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-(1-fluorocyclobutanecarbonyl)-5-prop-2-enyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
SMILESC=CCN1CCC2CN(C(=O)C3(F)CCC3)CC2C1=O
InChIInChI=1S/C15H21FN2O2/c1-2-7-17-8-4-11-9-18(10-12(11)13(17)19)14(20)15(16)5-3-6-15/h2,11-12H,1,3-10H2
InChIKeyPOMKFXIXPFMRFJ-UHFFFAOYSA-N
XLogP1.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(Cyclopropylmethyl)-2-(1-fluorocyclobutanecarbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 131683304
5-Ethyl-2-(1-fluorocyclobutanecarbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 131684952
2-(1-Fluorocyclobutanecarbonyl)-5-methyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 131684957
9-(1-Fluorocyclobutanecarbonyl)-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one
CID 131686315
1-[(3aS,7aS)-4-oxo-5-prop-2-enyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-2-carbonyl]cyclopropane-1-carbonitrile
CID 97403049
(3aS,7aS)-2,5-bis(prop-2-enyl)-3a,4,7,7a-tetrahydro-3H-pyrrolo[3,4-c]pyridine-1,6-dione
CID 102056795
2-(2-Methylpropanoyl)-5-prop-2-enyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 134071467

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclobutanecarbonyl)-5-prop-2-enyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
The IUPAC name of 2-(1-fluorocyclobutanecarbonyl)-5-prop-2-enyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one (CID 131685007) is 2-(1-fluorocyclobutanecarbonyl)-5-prop-2-enyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one.
What is the SMILES notation for 2-(1-fluorocyclobutanecarbonyl)-5-prop-2-enyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
The canonical SMILES for 2-(1-fluorocyclobutanecarbonyl)-5-prop-2-enyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one is C=CCN1CCC2CN(C(=O)C3(F)CCC3)CC2C1=O.
What is the InChIKey of 2-(1-fluorocyclobutanecarbonyl)-5-prop-2-enyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
The InChIKey is POMKFXIXPFMRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-7-17-8-4-11-9-18(10-12(11)13(17)19)14(20)15(16)5-3-6-15/h2,11-12H,1,3-10H2.
What are the key properties of 2-(1-fluorocyclobutanecarbonyl)-5-prop-2-enyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
2-(1-fluorocyclobutanecarbonyl)-5-prop-2-enyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one has a molecular weight of 280.34 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclobutanecarbonyl)-5-prop-2-enyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one is sourced from PubChem (CID 131685007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).