4-(3-azaspiro[5.5]undecan-9-ylamino)-1-(2-methoxyethyl)pyrrolidin-2-one

C17H31N3O2 — CID 56716167

IUPAC4-(3-azaspiro[5.5]undecan-9-ylamino)-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CC(NC2CCC3(CCNCC3)CC2)CC1=O
InChIInChI=1S/C17H31N3O2/c1-22-11-10-20-13-15(12-16(20)21)19-14-2-4-17(5-3-14)6-8-18-9-7-17/h14-15,18-19H,2-13H2,1H3
InChIKeyOYAUJPNSQJOCRV-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.14
Rot. Bonds5

About 4-(3-azaspiro[5.5]undecan-9-ylamino)-1-(2-methoxyethyl)pyrrolidin-2-one

4-(3-azaspiro[5.5]undecan-9-ylamino)-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 56716167) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 4-(3-azaspiro[5.5]undecan-9-ylamino)-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-azaspiro[5.5]undecan-9-ylamino)-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID56716167
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name4-(3-azaspiro[5.5]undecan-9-ylamino)-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CC(NC2CCC3(CCNCC3)CC2)CC1=O
InChIInChI=1S/C17H31N3O2/c1-22-11-10-20-13-15(12-16(20)21)19-14-2-4-17(5-3-14)6-8-18-9-7-17/h14-15,18-19H,2-13H2,1H3
InChIKeyOYAUJPNSQJOCRV-UHFFFAOYSA-N
XLogP1.14
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-azaspiro[5.5]undecan-9-ylamino)-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of 4-(3-azaspiro[5.5]undecan-9-ylamino)-1-(2-methoxyethyl)pyrrolidin-2-one (CID 56716167) is 4-(3-azaspiro[5.5]undecan-9-ylamino)-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3-azaspiro[5.5]undecan-9-ylamino)-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3-azaspiro[5.5]undecan-9-ylamino)-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1CC(NC2CCC3(CCNCC3)CC2)CC1=O.
What is the InChIKey of 4-(3-azaspiro[5.5]undecan-9-ylamino)-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is OYAUJPNSQJOCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-22-11-10-20-13-15(12-16(20)21)19-14-2-4-17(5-3-14)6-8-18-9-7-17/h14-15,18-19H,2-13H2,1H3.
What are the key properties of 4-(3-azaspiro[5.5]undecan-9-ylamino)-1-(2-methoxyethyl)pyrrolidin-2-one?
4-(3-azaspiro[5.5]undecan-9-ylamino)-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 309.45 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azaspiro[5.5]undecan-9-ylamino)-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 56716167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).