9-(cyclopent-3-ene-1-carbonyl)-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one

C17H24F2N2O3 — CID 131695106

IUPAC9-(cyclopent-3-ene-1-carbonyl)-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CN(C(=O)C3CC=CC3)CC(F)(F)C2)C1=O
InChIInChI=1S/C17H24F2N2O3/c1-24-9-8-20-7-6-16(15(20)23)10-17(18,19)12-21(11-16)14(22)13-4-2-3-5-13/h2-3,13H,4-12H2,1H3
InChIKeyBRVPLFHZTYPNKB-UHFFFAOYSA-N
MW342.39 g/mol
LogP1.69
Rot. Bonds4

About 9-(cyclopent-3-ene-1-carbonyl)-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one

9-(cyclopent-3-ene-1-carbonyl)-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131695106) has the molecular formula C17H24F2N2O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 9-(cyclopent-3-ene-1-carbonyl)-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(cyclopent-3-ene-1-carbonyl)-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131695106
Molecular FormulaC17H24F2N2O3
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Name9-(cyclopent-3-ene-1-carbonyl)-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CN(C(=O)C3CC=CC3)CC(F)(F)C2)C1=O
InChIInChI=1S/C17H24F2N2O3/c1-24-9-8-20-7-6-16(15(20)23)10-17(18,19)12-21(11-16)14(22)13-4-2-3-5-13/h2-3,13H,4-12H2,1H3
InChIKeyBRVPLFHZTYPNKB-UHFFFAOYSA-N
XLogP1.69
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopent-3-ene-1-carbonyl)-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(cyclopent-3-ene-1-carbonyl)-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one (CID 131695106) is 9-(cyclopent-3-ene-1-carbonyl)-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(cyclopent-3-ene-1-carbonyl)-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(cyclopent-3-ene-1-carbonyl)-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one is COCCN1CCC2(CN(C(=O)C3CC=CC3)CC(F)(F)C2)C1=O.
What is the InChIKey of 9-(cyclopent-3-ene-1-carbonyl)-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is BRVPLFHZTYPNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3/c1-24-9-8-20-7-6-16(15(20)23)10-17(18,19)12-21(11-16)14(22)13-4-2-3-5-13/h2-3,13H,4-12H2,1H3.
What are the key properties of 9-(cyclopent-3-ene-1-carbonyl)-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one?
9-(cyclopent-3-ene-1-carbonyl)-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 342.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopent-3-ene-1-carbonyl)-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131695106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).