3,3-difluoro-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclobutane-1-carboxamide

C17H24F2N2O2 — CID 155870847

IUPAC3,3-difluoro-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclobutane-1-carboxamide
SMILESC=CCN1C(=O)CCC12CCC(NC(=O)C1CC(F)(F)C1)CC2
InChIInChI=1S/C17H24F2N2O2/c1-2-9-21-14(22)5-8-16(21)6-3-13(4-7-16)20-15(23)12-10-17(18,19)11-12/h2,12-13H,1,3-11H2,(H,20,23)
InChIKeyXAVOSRXCMVJCIO-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.64
Rot. Bonds4

About 3,3-difluoro-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclobutane-1-carboxamide

3,3-difluoro-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclobutane-1-carboxamide (PubChem CID 155870847) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is 3,3-difluoro-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclobutane-1-carboxamide
PubChem CID155870847
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name3,3-difluoro-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclobutane-1-carboxamide
SMILESC=CCN1C(=O)CCC12CCC(NC(=O)C1CC(F)(F)C1)CC2
InChIInChI=1S/C17H24F2N2O2/c1-2-9-21-14(22)5-8-16(21)6-3-13(4-7-16)20-15(23)12-10-17(18,19)11-12/h2,12-13H,1,3-11H2,(H,20,23)
InChIKeyXAVOSRXCMVJCIO-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide
CID 131690311
4-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclohexane-1-carboxamide
CID 155870207

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclobutane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclobutane-1-carboxamide (CID 155870847) is 3,3-difluoro-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclobutane-1-carboxamide is C=CCN1C(=O)CCC12CCC(NC(=O)C1CC(F)(F)C1)CC2.
What is the InChIKey of 3,3-difluoro-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclobutane-1-carboxamide?
The InChIKey is XAVOSRXCMVJCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-2-9-21-14(22)5-8-16(21)6-3-13(4-7-16)20-15(23)12-10-17(18,19)11-12/h2,12-13H,1,3-11H2,(H,20,23).
What are the key properties of 3,3-difluoro-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclobutane-1-carboxamide?
3,3-difluoro-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclobutane-1-carboxamide has a molecular weight of 326.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 155870847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).