(7E)-7-(furan-2-ylmethylidene)-4-methyl-2-azaspiro[4.5]decane-1,6-dione

C15H17NO3 — CID 101108134

IUPAC(7E)-7-(furan-2-ylmethylidene)-4-methyl-2-azaspiro[4.5]decane-1,6-dione
SMILESCC1CNC(=O)C12CCC/C(=C\c1ccco1)C2=O
InChIInChI=1S/C15H17NO3/c1-10-9-16-14(18)15(10)6-2-4-11(13(15)17)8-12-5-3-7-19-12/h3,5,7-8,10H,2,4,6,9H2,1H3,(H,16,18)/b11-8+
InChIKeyCOKYDWDSUDZDNT-DHZHZOJOSA-N
MW259.30 g/mol
LogP2.17
Rot. Bonds1

About (7E)-7-(furan-2-ylmethylidene)-4-methyl-2-azaspiro[4.5]decane-1,6-dione

(7E)-7-(furan-2-ylmethylidene)-4-methyl-2-azaspiro[4.5]decane-1,6-dione (PubChem CID 101108134) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is (7E)-7-(furan-2-ylmethylidene)-4-methyl-2-azaspiro[4.5]decane-1,6-dione.

Molecular Properties

Compound Name(7E)-7-(furan-2-ylmethylidene)-4-methyl-2-azaspiro[4.5]decane-1,6-dione
PubChem CID101108134
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name(7E)-7-(furan-2-ylmethylidene)-4-methyl-2-azaspiro[4.5]decane-1,6-dione
SMILESCC1CNC(=O)C12CCC/C(=C\c1ccco1)C2=O
InChIInChI=1S/C15H17NO3/c1-10-9-16-14(18)15(10)6-2-4-11(13(15)17)8-12-5-3-7-19-12/h3,5,7-8,10H,2,4,6,9H2,1H3,(H,16,18)/b11-8+
InChIKeyCOKYDWDSUDZDNT-DHZHZOJOSA-N
XLogP2.17
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-(furan-2-ylmethylidene)cyclooctan-1-one
CID 177443971
(2Z,8aS)-8a-ethyl-2-(furan-2-ylmethylidene)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-one
CID 21160162
3,5-bis(furan-2-ylmethylidene)-1-methylpiperidin-4-one
CID 717827
2-(furan-2-ylmethylidene)-5,8a-dimethyl-6-methylidene-3,4,7,8-tetrahydronaphthalen-1-one
CID 68967979
(1S,3Z,5S,7E)-3,7-bis(furan-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
CID 2261789
(1R,3Z,5R)-3,7-bis(furan-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
CID 933207
(3Z,7Z)-3,7-bis(furan-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
CID 5342343
(4Z)-2-cyclopropyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135934938
(8R,9S,13S,14S,16E)-16-(furan-2-ylmethylidene)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
CID 53322424
2-(furan-2-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one
CID 67619456
(5Z)-5-(furan-2-ylmethylidene)-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 177456796
(5E)-5-(furan-2-ylmethylidene)-1,3-selenazolidine-2,4-dione
CID 6448137

Frequently Asked Questions

What is the IUPAC name of (7E)-7-(furan-2-ylmethylidene)-4-methyl-2-azaspiro[4.5]decane-1,6-dione?
The IUPAC name of (7E)-7-(furan-2-ylmethylidene)-4-methyl-2-azaspiro[4.5]decane-1,6-dione (CID 101108134) is (7E)-7-(furan-2-ylmethylidene)-4-methyl-2-azaspiro[4.5]decane-1,6-dione.
What is the SMILES notation for (7E)-7-(furan-2-ylmethylidene)-4-methyl-2-azaspiro[4.5]decane-1,6-dione?
The canonical SMILES for (7E)-7-(furan-2-ylmethylidene)-4-methyl-2-azaspiro[4.5]decane-1,6-dione is CC1CNC(=O)C12CCC/C(=C\c1ccco1)C2=O.
What is the InChIKey of (7E)-7-(furan-2-ylmethylidene)-4-methyl-2-azaspiro[4.5]decane-1,6-dione?
The InChIKey is COKYDWDSUDZDNT-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-9-16-14(18)15(10)6-2-4-11(13(15)17)8-12-5-3-7-19-12/h3,5,7-8,10H,2,4,6,9H2,1H3,(H,16,18)/b11-8+.
What are the key properties of (7E)-7-(furan-2-ylmethylidene)-4-methyl-2-azaspiro[4.5]decane-1,6-dione?
(7E)-7-(furan-2-ylmethylidene)-4-methyl-2-azaspiro[4.5]decane-1,6-dione has a molecular weight of 259.30 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-(furan-2-ylmethylidene)-4-methyl-2-azaspiro[4.5]decane-1,6-dione is sourced from PubChem (CID 101108134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).