(4R,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione

C13H19NO2 — CID 14413604

IUPAC(4R,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione
SMILESC=CCN1C[C@H](C)[C@@]2(CCCCC2=O)C1=O
InChIInChI=1S/C13H19NO2/c1-3-8-14-9-10(2)13(12(14)16)7-5-4-6-11(13)15/h3,10H,1,4-9H2,2H3/t10-,13+/m0/s1
InChIKeyUPRUMJRKOAZXDQ-GXFFZTMASA-N
MW221.30 g/mol
LogP1.78
Rot. Bonds2

About (4R,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione

(4R,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione (PubChem CID 14413604) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (4R,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione.

Molecular Properties

Compound Name(4R,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione
PubChem CID14413604
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(4R,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione
SMILESC=CCN1C[C@H](C)[C@@]2(CCCCC2=O)C1=O
InChIInChI=1S/C13H19NO2/c1-3-8-14-9-10(2)13(12(14)16)7-5-4-6-11(13)15/h3,10H,1,4-9H2,2H3/t10-,13+/m0/s1
InChIKeyUPRUMJRKOAZXDQ-GXFFZTMASA-N
XLogP1.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Azaspiro(4.5)decane-1,3-dione, 2-allyl-
CID 56268
N-ethyl-4,4-dimethyl-2,6-dioxo-N-prop-2-enylcyclohexane-1-carboxamide
CID 6501549
(4R,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione
CID 10856676
N,N-diallyl-2-oxocyclohexane-carboxamide
CID 11042284
1-Prop-2-enyl-1-azaspiro[4.5]decane-2,8-dione
CID 85790653
3-(Cyclohexanecarbonyl)-1-ethenyl-3-methylpyrrolidin-2-one
CID 134877223
(4R,5S)-4-(chloromethyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione
CID 135030995
(4S,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione
CID 10987824
N-methyl-2-oxo-N-prop-2-enylcyclohexane-1-carboxamide
CID 11095533
(4R,5R)-2,4-dimethyl-2-azaspiro[4.5]decane-1,6-dione
CID 15317461
(4S,5R)-2,4-dimethyl-2-azaspiro[4.5]decane-1,6-dione
CID 15317462
6,6-Dimethyl-2-prop-2-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione
CID 101055446

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione?
The IUPAC name of (4R,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione (CID 14413604) is (4R,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione.
What is the SMILES notation for (4R,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione?
The canonical SMILES for (4R,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione is C=CCN1C[C@H](C)[C@@]2(CCCCC2=O)C1=O.
What is the InChIKey of (4R,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione?
The InChIKey is UPRUMJRKOAZXDQ-GXFFZTMASA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-8-14-9-10(2)13(12(14)16)7-5-4-6-11(13)15/h3,10H,1,4-9H2,2H3/t10-,13+/m0/s1.
What are the key properties of (4R,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione?
(4R,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione has a molecular weight of 221.30 g/mol, XLogP of 1.78, 2 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-2-azaspiro[4.5]decane-1,6-dione is sourced from PubChem (CID 14413604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).