7-methyl-5-prop-2-enyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one

C13H14N2O3 — CID 82157863

IUPAC7-methyl-5-prop-2-enyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
SMILESC=CCN1C(=O)C(C)Nc2cc3c(cc21)OCO3
InChIInChI=1S/C13H14N2O3/c1-3-4-15-10-6-12-11(17-7-18-12)5-9(10)14-8(2)13(15)16/h3,5-6,8,14H,1,4,7H2,2H3
InChIKeyXPKDOCPXJGDEJN-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.75
Rot. Bonds2

About 7-methyl-5-prop-2-enyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one

7-methyl-5-prop-2-enyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one (PubChem CID 82157863) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 7-methyl-5-prop-2-enyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one.

Molecular Properties

Compound Name7-methyl-5-prop-2-enyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
PubChem CID82157863
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name7-methyl-5-prop-2-enyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
SMILESC=CCN1C(=O)C(C)Nc2cc3c(cc21)OCO3
InChIInChI=1S/C13H14N2O3/c1-3-4-15-10-6-12-11(17-7-18-12)5-9(10)14-8(2)13(15)16/h3,5-6,8,14H,1,4,7H2,2H3
InChIKeyXPKDOCPXJGDEJN-UHFFFAOYSA-N
XLogP1.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-methyl-5-prop-2-enyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one with MolForge

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Related Compounds

2-methyl-2-(7-methyl-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)propanoic acid
CID 82157885
7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157916
6-prop-2-enyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one
CID 82157794
5-[2-(dimethylamino)ethyl]-7-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157933
2-(7-ethyl-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetic acid
CID 82157911
5-[2-(dimethylamino)ethyl]-7-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157951
2-(7-ethyl-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetonitrile
CID 82157921
3-ethyl-6,7-dimethyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
CID 82157226
5-methyl-7-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157944
1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157287
6,7-difluoro-3-phenyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
CID 82157494
1-[2-(dimethylamino)ethyl]-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157305

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-prop-2-enyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one?
The IUPAC name of 7-methyl-5-prop-2-enyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one (CID 82157863) is 7-methyl-5-prop-2-enyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one.
What is the SMILES notation for 7-methyl-5-prop-2-enyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one?
The canonical SMILES for 7-methyl-5-prop-2-enyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one is C=CCN1C(=O)C(C)Nc2cc3c(cc21)OCO3.
What is the InChIKey of 7-methyl-5-prop-2-enyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one?
The InChIKey is XPKDOCPXJGDEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-4-15-10-6-12-11(17-7-18-12)5-9(10)14-8(2)13(15)16/h3,5-6,8,14H,1,4,7H2,2H3.
What are the key properties of 7-methyl-5-prop-2-enyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one?
7-methyl-5-prop-2-enyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one has a molecular weight of 246.27 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-prop-2-enyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one is sourced from PubChem (CID 82157863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).