9-[(4-fluorophenyl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one

C18H23FN2O — CID 131650323

IUPAC9-[(4-fluorophenyl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one
SMILESC=CCN1CCC2(CCCN(Cc3ccc(F)cc3)C2)C1=O
InChIInChI=1S/C18H23FN2O/c1-2-10-21-12-9-18(17(21)22)8-3-11-20(14-18)13-15-4-6-16(19)7-5-15/h2,4-7H,1,3,8-14H2
InChIKeyPKDJXZYRYFUTNL-UHFFFAOYSA-N
MW302.39 g/mol
LogP2.83
Rot. Bonds4

About 9-[(4-fluorophenyl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one

9-[(4-fluorophenyl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131650323) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is 9-[(4-fluorophenyl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-[(4-fluorophenyl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131650323
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name9-[(4-fluorophenyl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one
SMILESC=CCN1CCC2(CCCN(Cc3ccc(F)cc3)C2)C1=O
InChIInChI=1S/C18H23FN2O/c1-2-10-21-12-9-18(17(21)22)8-3-11-20(14-18)13-15-4-6-16(19)7-5-15/h2,4-7H,1,3,8-14H2
InChIKeyPKDJXZYRYFUTNL-UHFFFAOYSA-N
XLogP2.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(4-fluorophenyl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-[(4-fluorophenyl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one (CID 131650323) is 9-[(4-fluorophenyl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-[(4-fluorophenyl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-[(4-fluorophenyl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one is C=CCN1CCC2(CCCN(Cc3ccc(F)cc3)C2)C1=O.
What is the InChIKey of 9-[(4-fluorophenyl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is PKDJXZYRYFUTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O/c1-2-10-21-12-9-18(17(21)22)8-3-11-20(14-18)13-15-4-6-16(19)7-5-15/h2,4-7H,1,3,8-14H2.
What are the key properties of 9-[(4-fluorophenyl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one?
9-[(4-fluorophenyl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 302.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-fluorophenyl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131650323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).