(4R,5R)-4-methyl-2-prop-2-enyl-6-pyrrolidin-1-yl-2-azaspiro[4.5]dec-6-en-1-one

C17H26N2O — CID 10707497

IUPAC(4R,5R)-4-methyl-2-prop-2-enyl-6-pyrrolidin-1-yl-2-azaspiro[4.5]dec-6-en-1-one
SMILESC=CCN1C[C@H](C)[C@@]2(CCCC=C2N2CCCC2)C1=O
InChIInChI=1S/C17H26N2O/c1-3-10-19-13-14(2)17(16(19)20)9-5-4-8-15(17)18-11-6-7-12-18/h3,8,14H,1,4-7,9-13H2,2H3/t14-,17+/m0/s1
InChIKeyWMNORKCIIIFYLC-WMLDXEAASA-N
MW274.41 g/mol
LogP2.80
Rot. Bonds3

About (4R,5R)-4-methyl-2-prop-2-enyl-6-pyrrolidin-1-yl-2-azaspiro[4.5]dec-6-en-1-one

(4R,5R)-4-methyl-2-prop-2-enyl-6-pyrrolidin-1-yl-2-azaspiro[4.5]dec-6-en-1-one (PubChem CID 10707497) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (4R,5R)-4-methyl-2-prop-2-enyl-6-pyrrolidin-1-yl-2-azaspiro[4.5]dec-6-en-1-one.

Molecular Properties

Compound Name(4R,5R)-4-methyl-2-prop-2-enyl-6-pyrrolidin-1-yl-2-azaspiro[4.5]dec-6-en-1-one
PubChem CID10707497
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(4R,5R)-4-methyl-2-prop-2-enyl-6-pyrrolidin-1-yl-2-azaspiro[4.5]dec-6-en-1-one
SMILESC=CCN1C[C@H](C)[C@@]2(CCCC=C2N2CCCC2)C1=O
InChIInChI=1S/C17H26N2O/c1-3-10-19-13-14(2)17(16(19)20)9-5-4-8-15(17)18-11-6-7-12-18/h3,8,14H,1,4-7,9-13H2,2H3/t14-,17+/m0/s1
InChIKeyWMNORKCIIIFYLC-WMLDXEAASA-N
XLogP2.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.80
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 (4R,5R)-4-methyl-2-prop-2-enyl-6-pyrrolidin-1-yl-2-azaspiro[4.5]dec-6-en-1-one?
The IUPAC name of (4R,5R)-4-methyl-2-prop-2-enyl-6-pyrrolidin-1-yl-2-azaspiro[4.5]dec-6-en-1-one (CID 10707497) is (4R,5R)-4-methyl-2-prop-2-enyl-6-pyrrolidin-1-yl-2-azaspiro[4.5]dec-6-en-1-one.
What is the SMILES notation for (4R,5R)-4-methyl-2-prop-2-enyl-6-pyrrolidin-1-yl-2-azaspiro[4.5]dec-6-en-1-one?
The canonical SMILES for (4R,5R)-4-methyl-2-prop-2-enyl-6-pyrrolidin-1-yl-2-azaspiro[4.5]dec-6-en-1-one is C=CCN1C[C@H](C)[C@@]2(CCCC=C2N2CCCC2)C1=O.
What is the InChIKey of (4R,5R)-4-methyl-2-prop-2-enyl-6-pyrrolidin-1-yl-2-azaspiro[4.5]dec-6-en-1-one?
The InChIKey is WMNORKCIIIFYLC-WMLDXEAASA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-10-19-13-14(2)17(16(19)20)9-5-4-8-15(17)18-11-6-7-12-18/h3,8,14H,1,4-7,9-13H2,2H3/t14-,17+/m0/s1.
What are the key properties of (4R,5R)-4-methyl-2-prop-2-enyl-6-pyrrolidin-1-yl-2-azaspiro[4.5]dec-6-en-1-one?
(4R,5R)-4-methyl-2-prop-2-enyl-6-pyrrolidin-1-yl-2-azaspiro[4.5]dec-6-en-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-methyl-2-prop-2-enyl-6-pyrrolidin-1-yl-2-azaspiro[4.5]dec-6-en-1-one is sourced from PubChem (CID 10707497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).