6,7-di(ethylidene)-4-azaspiro[2.4]heptan-5-one

C10H13NO — CID 123153489

IUPAC6,7-di(ethylidene)-4-azaspiro[2.4]heptan-5-one
SMILESCC=C1C(=O)NC2(CC2)C1=CC
InChIInChI=1S/C10H13NO/c1-3-7-8(4-2)10(5-6-10)11-9(7)12/h3-4H,5-6H2,1-2H3,(H,11,12)
InChIKeyTXCPQKVFTDSFHB-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.54
Rot. Bonds

About 6,7-di(ethylidene)-4-azaspiro[2.4]heptan-5-one

6,7-di(ethylidene)-4-azaspiro[2.4]heptan-5-one (PubChem CID 123153489) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 6,7-di(ethylidene)-4-azaspiro[2.4]heptan-5-one.

Molecular Properties

Compound Name6,7-di(ethylidene)-4-azaspiro[2.4]heptan-5-one
PubChem CID123153489
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name6,7-di(ethylidene)-4-azaspiro[2.4]heptan-5-one
SMILESCC=C1C(=O)NC2(CC2)C1=CC
InChIInChI=1S/C10H13NO/c1-3-7-8(4-2)10(5-6-10)11-9(7)12/h3-4H,5-6H2,1-2H3,(H,11,12)
InChIKeyTXCPQKVFTDSFHB-UHFFFAOYSA-N
XLogP1.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6,7-di(ethylidene)-4-azaspiro[2.4]heptan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methyl-5-penta-2,4-dienylpyrrolidin-2-one
CID 91564398
9-Methyl-1-azaspiro[4.4]nona-6,8-dien-2-one
CID 122521956
(3Z)-3-ethylidene-5,5-dimethylpyrrolidin-2-one
CID 133667696
(3E,4E)-5-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]-5-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]-3,4-bis(prop-2-enylidene)pyrrolidin-2-one
CID 138601952
(3E,4E)-5-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]-5-[(2E,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]-3,4-bis(prop-2-enylidene)pyrrolidin-2-one
CID 138626027
3,3-dimethyl-5,6-dihydro-2H-isoindol-1-one;ethane
CID 141799601
ethane;(3E,4E)-3-ethylidene-5-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-5-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-4-prop-2-enylidenepyrrolidin-2-one
CID 145389326
ethane;(3E,4E)-3-ethylidene-5-[(3E,5Z,7Z)-6-methylnona-1,3,5,7-tetraen-3-yl]-5-[(3E,5Z)-7-methylocta-3,5,7-trien-4-yl]-4-prop-2-enylidenepyrrolidin-2-one
CID 145389342
(3E,4E)-3-ethylidene-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-prop-2-enylidenepyrrolidin-2-one
CID 155398919
(3E,4E)-3-ethylidene-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-prop-2-enylidenepyrrolidin-2-one
CID 155398959
(3E)-3-ethylidene-5-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]-5-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]-4-prop-2-enylidenepyrrolidin-2-one
CID 173801009
(3E)-3-ethylidene-5-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]-5-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]-4-prop-2-enylidenepyrrolidin-2-one
CID 173802948

Frequently Asked Questions

What is the IUPAC name of 6,7-di(ethylidene)-4-azaspiro[2.4]heptan-5-one?
The IUPAC name of 6,7-di(ethylidene)-4-azaspiro[2.4]heptan-5-one (CID 123153489) is 6,7-di(ethylidene)-4-azaspiro[2.4]heptan-5-one.
What is the SMILES notation for 6,7-di(ethylidene)-4-azaspiro[2.4]heptan-5-one?
The canonical SMILES for 6,7-di(ethylidene)-4-azaspiro[2.4]heptan-5-one is CC=C1C(=O)NC2(CC2)C1=CC.
What is the InChIKey of 6,7-di(ethylidene)-4-azaspiro[2.4]heptan-5-one?
The InChIKey is TXCPQKVFTDSFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-7-8(4-2)10(5-6-10)11-9(7)12/h3-4H,5-6H2,1-2H3,(H,11,12).
What are the key properties of 6,7-di(ethylidene)-4-azaspiro[2.4]heptan-5-one?
6,7-di(ethylidene)-4-azaspiro[2.4]heptan-5-one has a molecular weight of 163.22 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-di(ethylidene)-4-azaspiro[2.4]heptan-5-one is sourced from PubChem (CID 123153489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).