9-(1-fluorocyclobutanecarbonyl)-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one

C16H23FN2O2 — CID 131686315

IUPAC9-(1-fluorocyclobutanecarbonyl)-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one
SMILESC=CCN1CCC2(CCCN(C(=O)C3(F)CCC3)C2)C1=O
InChIInChI=1S/C16H23FN2O2/c1-2-9-18-11-8-15(13(18)20)5-4-10-19(12-15)14(21)16(17)6-3-7-16/h2H,1,3-12H2
InChIKeyMVWXKHVXBXRUTN-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.91
Rot. Bonds3

About 9-(1-fluorocyclobutanecarbonyl)-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one

9-(1-fluorocyclobutanecarbonyl)-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131686315) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 9-(1-fluorocyclobutanecarbonyl)-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(1-fluorocyclobutanecarbonyl)-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131686315
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name9-(1-fluorocyclobutanecarbonyl)-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one
SMILESC=CCN1CCC2(CCCN(C(=O)C3(F)CCC3)C2)C1=O
InChIInChI=1S/C16H23FN2O2/c1-2-9-18-11-8-15(13(18)20)5-4-10-19(12-15)14(21)16(17)6-3-7-16/h2H,1,3-12H2
InChIKeyMVWXKHVXBXRUTN-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
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

2-[2-(Dimethylamino)ethyl]-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131681734
2-(1-Fluorocyclobutanecarbonyl)-5-prop-2-enyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 131685007
9-(1-Fluorocyclobutanecarbonyl)-2-methyl-2,9-diazaspiro[4.5]decan-1-one
CID 131685176
2-Ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131686272
2-(Cyclopropylmethyl)-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131686316
2-(3-Butenoyl)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45206696
7-methyl-2-[(2E)-2-methyl-2-buten-1-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 45217622
(5S)-2-but-3-enoyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25452902
(5R)-2-but-3-enoyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25452907
(5S)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42244220
(5R)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42244222
(5S)-7-methyl-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42510274

Frequently Asked Questions

What is the IUPAC name of 9-(1-fluorocyclobutanecarbonyl)-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(1-fluorocyclobutanecarbonyl)-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one (CID 131686315) is 9-(1-fluorocyclobutanecarbonyl)-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(1-fluorocyclobutanecarbonyl)-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(1-fluorocyclobutanecarbonyl)-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one is C=CCN1CCC2(CCCN(C(=O)C3(F)CCC3)C2)C1=O.
What is the InChIKey of 9-(1-fluorocyclobutanecarbonyl)-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is MVWXKHVXBXRUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-2-9-18-11-8-15(13(18)20)5-4-10-19(12-15)14(21)16(17)6-3-7-16/h2H,1,3-12H2.
What are the key properties of 9-(1-fluorocyclobutanecarbonyl)-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one?
9-(1-fluorocyclobutanecarbonyl)-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 294.37 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-fluorocyclobutanecarbonyl)-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131686315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).