6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one

C17H23N3O — CID 83245738

IUPAC6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCN1CCC(CN2C(=O)C3(CC3)NC2c2ccccc2)C1
InChIInChI=1S/C17H23N3O/c1-19-10-7-13(11-19)12-20-15(14-5-3-2-4-6-14)18-17(8-9-17)16(20)21/h2-6,13,15,18H,7-12H2,1H3
InChIKeyRYJBTVISVHSMPC-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.60
Rot. Bonds3

About 6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one

6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83245738) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83245738
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCN1CCC(CN2C(=O)C3(CC3)NC2c2ccccc2)C1
InChIInChI=1S/C17H23N3O/c1-19-10-7-13(11-19)12-20-15(14-5-3-2-4-6-14)18-17(8-9-17)16(20)21/h2-6,13,15,18H,7-12H2,1H3
InChIKeyRYJBTVISVHSMPC-UHFFFAOYSA-N
XLogP1.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83245738) is 6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one is CN1CCC(CN2C(=O)C3(CC3)NC2c2ccccc2)C1.
What is the InChIKey of 6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is RYJBTVISVHSMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-19-10-7-13(11-19)12-20-15(14-5-3-2-4-6-14)18-17(8-9-17)16(20)21/h2-6,13,15,18H,7-12H2,1H3.
What are the key properties of 6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one?
6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 285.39 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83245738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).