3-tert-butylimino-2-phenyl-4-pyrrolidin-1-yl-2-azaspiro[4.5]decan-1-one

C23H33N3O — CID 17039075

IUPAC3-tert-butylimino-2-phenyl-4-pyrrolidin-1-yl-2-azaspiro[4.5]decan-1-one
SMILESCC(C)(C)/N=C1\C(N2CCCC2)C2(CCCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C23H33N3O/c1-22(2,3)24-20-19(25-16-10-11-17-25)23(14-8-5-9-15-23)21(27)26(20)18-12-6-4-7-13-18/h4,6-7,12-13,19H,5,8-11,14-17H2,1-3H3/b24-20+
InChIKeyJCPZINYTUYPURU-HIXSDJFHSA-N
MW367.54 g/mol
LogP4.65
Rot. Bonds2

About 3-tert-butylimino-2-phenyl-4-pyrrolidin-1-yl-2-azaspiro[4.5]decan-1-one

3-tert-butylimino-2-phenyl-4-pyrrolidin-1-yl-2-azaspiro[4.5]decan-1-one (PubChem CID 17039075) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 3-tert-butylimino-2-phenyl-4-pyrrolidin-1-yl-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-tert-butylimino-2-phenyl-4-pyrrolidin-1-yl-2-azaspiro[4.5]decan-1-one
PubChem CID17039075
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name3-tert-butylimino-2-phenyl-4-pyrrolidin-1-yl-2-azaspiro[4.5]decan-1-one
SMILESCC(C)(C)/N=C1\C(N2CCCC2)C2(CCCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C23H33N3O/c1-22(2,3)24-20-19(25-16-10-11-17-25)23(14-8-5-9-15-23)21(27)26(20)18-12-6-4-7-13-18/h4,6-7,12-13,19H,5,8-11,14-17H2,1-3H3/b24-20+
InChIKeyJCPZINYTUYPURU-HIXSDJFHSA-N
XLogP4.65
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylimino-2-phenyl-4-pyrrolidin-1-yl-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 3-tert-butylimino-2-phenyl-4-pyrrolidin-1-yl-2-azaspiro[4.5]decan-1-one (CID 17039075) is 3-tert-butylimino-2-phenyl-4-pyrrolidin-1-yl-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-tert-butylimino-2-phenyl-4-pyrrolidin-1-yl-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 3-tert-butylimino-2-phenyl-4-pyrrolidin-1-yl-2-azaspiro[4.5]decan-1-one is CC(C)(C)/N=C1\C(N2CCCC2)C2(CCCCC2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-tert-butylimino-2-phenyl-4-pyrrolidin-1-yl-2-azaspiro[4.5]decan-1-one?
The InChIKey is JCPZINYTUYPURU-HIXSDJFHSA-N. The full InChI is InChI=1S/C23H33N3O/c1-22(2,3)24-20-19(25-16-10-11-17-25)23(14-8-5-9-15-23)21(27)26(20)18-12-6-4-7-13-18/h4,6-7,12-13,19H,5,8-11,14-17H2,1-3H3/b24-20+.
What are the key properties of 3-tert-butylimino-2-phenyl-4-pyrrolidin-1-yl-2-azaspiro[4.5]decan-1-one?
3-tert-butylimino-2-phenyl-4-pyrrolidin-1-yl-2-azaspiro[4.5]decan-1-one has a molecular weight of 367.54 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylimino-2-phenyl-4-pyrrolidin-1-yl-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 17039075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).