7,7-dimethyl-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione

C14H19NO2 — CID 10537597

IUPAC7,7-dimethyl-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione
SMILESC=CCN1CC(=C)C2(CC(C)(C)CC2=O)C1=O
InChIInChI=1S/C14H19NO2/c1-5-6-15-8-10(2)14(12(15)17)9-13(3,4)7-11(14)16/h5H,1-2,6-9H2,3-4H3
InChIKeyFOWBHRJYJWODLR-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.95
Rot. Bonds2

About 7,7-dimethyl-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione

7,7-dimethyl-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione (PubChem CID 10537597) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 7,7-dimethyl-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione.

Molecular Properties

Compound Name7,7-dimethyl-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione
PubChem CID10537597
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name7,7-dimethyl-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione
SMILESC=CCN1CC(=C)C2(CC(C)(C)CC2=O)C1=O
InChIInChI=1S/C14H19NO2/c1-5-6-15-8-10(2)14(12(15)17)9-13(3,4)7-11(14)16/h5H,1-2,6-9H2,3-4H3
InChIKeyFOWBHRJYJWODLR-UHFFFAOYSA-N
XLogP1.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.95
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

(4R,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione
CID 10856676
N,N-diethyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxamide
CID 101439008
(5R)-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione
CID 102016039
(1R)-1-acetyl-N,N-diethyl-2-methylidenecyclopentane-1-carboxamide
CID 135067347
4-Methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione
CID 10512438
4-Methylidene-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione
CID 10680390
(4S,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione
CID 11745827
(5R)-2,7,7-trimethyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione
CID 15317459
(5R)-2-methyl-4-methylidene-2-azaspiro[4.4]nonane-1,9-dione
CID 15317460
6,6-Dimethyl-2-prop-2-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione
CID 101055446
2-But-3-enyl-6,6-dimethyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione
CID 101055447
6,6-Dimethyl-2-pent-4-enyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione
CID 101055448

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione?
The IUPAC name of 7,7-dimethyl-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione (CID 10537597) is 7,7-dimethyl-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione.
What is the SMILES notation for 7,7-dimethyl-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione?
The canonical SMILES for 7,7-dimethyl-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione is C=CCN1CC(=C)C2(CC(C)(C)CC2=O)C1=O.
What is the InChIKey of 7,7-dimethyl-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione?
The InChIKey is FOWBHRJYJWODLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-6-15-8-10(2)14(12(15)17)9-13(3,4)7-11(14)16/h5H,1-2,6-9H2,3-4H3.
What are the key properties of 7,7-dimethyl-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione?
7,7-dimethyl-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione has a molecular weight of 233.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione is sourced from PubChem (CID 10537597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).