1-[2-[(1S,2S)-2-fluorocyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one

C15H21FN2O2 — CID 167865044

IUPAC1-[2-[(1S,2S)-2-fluorocyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC2(CC1)CCN(C(=O)[C@@H]1C[C@@H]1F)C2
InChIInChI=1S/C15H21FN2O2/c1-2-13(19)17-6-3-15(4-7-17)5-8-18(10-15)14(20)11-9-12(11)16/h2,11-12H,1,3-10H2/t11-,12+/m1/s1
InChIKeyYYJRNGIQXXVMBX-NEPJUHHUSA-N
MW280.34 g/mol
LogP1.37
Rot. Bonds2

About 1-[2-[(1S,2S)-2-fluorocyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one

1-[2-[(1S,2S)-2-fluorocyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one (PubChem CID 167865044) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-[2-[(1S,2S)-2-fluorocyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[2-[(1S,2S)-2-fluorocyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one
PubChem CID167865044
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-[2-[(1S,2S)-2-fluorocyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC2(CC1)CCN(C(=O)[C@@H]1C[C@@H]1F)C2
InChIInChI=1S/C15H21FN2O2/c1-2-13(19)17-6-3-15(4-7-17)5-8-18(10-15)14(20)11-9-12(11)16/h2,11-12H,1,3-10H2/t11-,12+/m1/s1
InChIKeyYYJRNGIQXXVMBX-NEPJUHHUSA-N
XLogP1.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S,2S)-2-fluorocyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one?
The IUPAC name of 1-[2-[(1S,2S)-2-fluorocyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one (CID 167865044) is 1-[2-[(1S,2S)-2-fluorocyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[2-[(1S,2S)-2-fluorocyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one?
The canonical SMILES for 1-[2-[(1S,2S)-2-fluorocyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one is C=CC(=O)N1CCC2(CC1)CCN(C(=O)[C@@H]1C[C@@H]1F)C2.
What is the InChIKey of 1-[2-[(1S,2S)-2-fluorocyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one?
The InChIKey is YYJRNGIQXXVMBX-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-13(19)17-6-3-15(4-7-17)5-8-18(10-15)14(20)11-9-12(11)16/h2,11-12H,1,3-10H2/t11-,12+/m1/s1.
What are the key properties of 1-[2-[(1S,2S)-2-fluorocyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one?
1-[2-[(1S,2S)-2-fluorocyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one has a molecular weight of 280.34 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1S,2S)-2-fluorocyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one is sourced from PubChem (CID 167865044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).