1-methyl-7-methylidene-4,4a,5,6,8,8a-hexahydro-3H-quinoxalin-2-one

C10H16N2O — CID 91117291

IUPAC1-methyl-7-methylidene-4,4a,5,6,8,8a-hexahydro-3H-quinoxalin-2-one
SMILESC=C1CCC2NCC(=O)N(C)C2C1
InChIInChI=1S/C10H16N2O/c1-7-3-4-8-9(5-7)12(2)10(13)6-11-8/h8-9,11H,1,3-6H2,2H3
InChIKeyMVHOEIPZAKOVTA-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.53
Rot. Bonds

About 1-methyl-7-methylidene-4,4a,5,6,8,8a-hexahydro-3H-quinoxalin-2-one

1-methyl-7-methylidene-4,4a,5,6,8,8a-hexahydro-3H-quinoxalin-2-one (PubChem CID 91117291) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methyl-7-methylidene-4,4a,5,6,8,8a-hexahydro-3H-quinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-7-methylidene-4,4a,5,6,8,8a-hexahydro-3H-quinoxalin-2-one
PubChem CID91117291
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-methyl-7-methylidene-4,4a,5,6,8,8a-hexahydro-3H-quinoxalin-2-one
SMILESC=C1CCC2NCC(=O)N(C)C2C1
InChIInChI=1S/C10H16N2O/c1-7-3-4-8-9(5-7)12(2)10(13)6-11-8/h8-9,11H,1,3-6H2,2H3
InChIKeyMVHOEIPZAKOVTA-UHFFFAOYSA-N
XLogP0.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-7-methylidene-4,4a,5,6,8,8a-hexahydro-3H-quinoxalin-2-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

4-(4-Methylidenecyclohexyl)piperazin-2-one
CID 58902675
N,N-dimethyl-2-[(4-methylidenecyclohexyl)amino]acetamide
CID 58902682
(4aS,8aS)-4-methyl-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 67761969
(4aS,8aR)-3,3-bis(prop-2-enyl)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 70437577
3,3-Bis(prop-2-enyl)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 70437578
(4aS,8aS)-3,3-bis(prop-2-enyl)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 70437862
3,5,6,7,8-Pentamethylidene-1,4,4a,8a-tetrahydroquinoxalin-2-one
CID 88516885
4-dodecyl-3,5,6,7,8-pentamethylidene-4a,8a-dihydro-1H-quinoxalin-2-one
CID 88721474
7-Methylidene-1,3,4,4a,5,6,8,8a-octahydroquinoxalin-2-one
CID 90872573
4-methyl-7-methylidene-3,4a,5,6,8,8a-hexahydro-1H-quinoxalin-2-one
CID 90956905
(4aR,8aR)-4-methyl-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 141844230
1-Methyl-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 13925161

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-methylidene-4,4a,5,6,8,8a-hexahydro-3H-quinoxalin-2-one?
The IUPAC name of 1-methyl-7-methylidene-4,4a,5,6,8,8a-hexahydro-3H-quinoxalin-2-one (CID 91117291) is 1-methyl-7-methylidene-4,4a,5,6,8,8a-hexahydro-3H-quinoxalin-2-one.
What is the SMILES notation for 1-methyl-7-methylidene-4,4a,5,6,8,8a-hexahydro-3H-quinoxalin-2-one?
The canonical SMILES for 1-methyl-7-methylidene-4,4a,5,6,8,8a-hexahydro-3H-quinoxalin-2-one is C=C1CCC2NCC(=O)N(C)C2C1.
What is the InChIKey of 1-methyl-7-methylidene-4,4a,5,6,8,8a-hexahydro-3H-quinoxalin-2-one?
The InChIKey is MVHOEIPZAKOVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-3-4-8-9(5-7)12(2)10(13)6-11-8/h8-9,11H,1,3-6H2,2H3.
What are the key properties of 1-methyl-7-methylidene-4,4a,5,6,8,8a-hexahydro-3H-quinoxalin-2-one?
1-methyl-7-methylidene-4,4a,5,6,8,8a-hexahydro-3H-quinoxalin-2-one has a molecular weight of 180.25 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-methylidene-4,4a,5,6,8,8a-hexahydro-3H-quinoxalin-2-one is sourced from PubChem (CID 91117291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).