1-[(5R,9S)-2-(pyrrolidine-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one

C17H27N3O3 — CID 97476411

IUPAC1-[(5R,9S)-2-(pyrrolidine-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
SMILESO=C(N1CCCC1)N1CC[C@@]2(C[C@@H](N3CCCC3=O)CCO2)C1
InChIInChI=1S/C17H27N3O3/c21-15-4-3-9-20(15)14-5-11-23-17(12-14)6-10-19(13-17)16(22)18-7-1-2-8-18/h14H,1-13H2/t14-,17+/m0/s1
InChIKeyLHGPJBJCCQVKAZ-WMLDXEAASA-N
MW321.42 g/mol
LogP1.45
Rot. Bonds1

About 1-[(5R,9S)-2-(pyrrolidine-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one

1-[(5R,9S)-2-(pyrrolidine-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one (PubChem CID 97476411) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[(5R,9S)-2-(pyrrolidine-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(5R,9S)-2-(pyrrolidine-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
PubChem CID97476411
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name1-[(5R,9S)-2-(pyrrolidine-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
SMILESO=C(N1CCCC1)N1CC[C@@]2(C[C@@H](N3CCCC3=O)CCO2)C1
InChIInChI=1S/C17H27N3O3/c21-15-4-3-9-20(15)14-5-11-23-17(12-14)6-10-19(13-17)16(22)18-7-1-2-8-18/h14H,1-13H2/t14-,17+/m0/s1
InChIKeyLHGPJBJCCQVKAZ-WMLDXEAASA-N
XLogP1.45
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5R,9S)-2-(pyrrolidine-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(5R,9S)-2-(pyrrolidine-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one (CID 97476411) is 1-[(5R,9S)-2-(pyrrolidine-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(5R,9S)-2-(pyrrolidine-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(5R,9S)-2-(pyrrolidine-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one is O=C(N1CCCC1)N1CC[C@@]2(C[C@@H](N3CCCC3=O)CCO2)C1.
What is the InChIKey of 1-[(5R,9S)-2-(pyrrolidine-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
The InChIKey is LHGPJBJCCQVKAZ-WMLDXEAASA-N. The full InChI is InChI=1S/C17H27N3O3/c21-15-4-3-9-20(15)14-5-11-23-17(12-14)6-10-19(13-17)16(22)18-7-1-2-8-18/h14H,1-13H2/t14-,17+/m0/s1.
What are the key properties of 1-[(5R,9S)-2-(pyrrolidine-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
1-[(5R,9S)-2-(pyrrolidine-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one has a molecular weight of 321.42 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R,9S)-2-(pyrrolidine-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one is sourced from PubChem (CID 97476411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).