methyl 6'-oxospiro[1,3-dioxolane-2,9'-8,10-dihydro-7H-phenanthridine]-5'-carboxylate

C17H17NO5 — CID 10757708

IUPACmethyl 6'-oxospiro[1,3-dioxolane-2,9'-8,10-dihydro-7H-phenanthridine]-5'-carboxylate
SMILESCOC(=O)n1c(=O)c2c(c3ccccc31)CC1(CC2)OCCO1
InChIInChI=1S/C17H17NO5/c1-21-16(20)18-14-5-3-2-4-11(14)13-10-17(22-8-9-23-17)7-6-12(13)15(18)19/h2-5H,6-10H2,1H3
InChIKeyZIFIGLZDCYSYGO-UHFFFAOYSA-N
MW315.32 g/mol
LogP1.85
Rot. Bonds

About methyl 6'-oxospiro[1,3-dioxolane-2,9'-8,10-dihydro-7H-phenanthridine]-5'-carboxylate

methyl 6'-oxospiro[1,3-dioxolane-2,9'-8,10-dihydro-7H-phenanthridine]-5'-carboxylate (PubChem CID 10757708) has the molecular formula C17H17NO5 and a molecular weight of 315.32 g/mol. Its IUPAC name is methyl 6'-oxospiro[1,3-dioxolane-2,9'-8,10-dihydro-7H-phenanthridine]-5'-carboxylate.

Molecular Properties

Compound Namemethyl 6'-oxospiro[1,3-dioxolane-2,9'-8,10-dihydro-7H-phenanthridine]-5'-carboxylate
PubChem CID10757708
Molecular FormulaC17H17NO5
Molecular Weight315.32 g/mol
Exact Mass315.11
IUPAC Namemethyl 6'-oxospiro[1,3-dioxolane-2,9'-8,10-dihydro-7H-phenanthridine]-5'-carboxylate
SMILESCOC(=O)n1c(=O)c2c(c3ccccc31)CC1(CC2)OCCO1
InChIInChI=1S/C17H17NO5/c1-21-16(20)18-14-5-3-2-4-11(14)13-10-17(22-8-9-23-17)7-6-12(13)15(18)19/h2-5H,6-10H2,1H3
InChIKeyZIFIGLZDCYSYGO-UHFFFAOYSA-N
XLogP1.85
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6'-oxospiro[1,3-dioxolane-2,9'-8,10-dihydro-7H-phenanthridine]-5'-carboxylate with MolForge

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Related Compounds

methyl 6,9-dioxo-8,10-dihydro-7H-phenanthridine-5-carboxylate
CID 10754571
ethyl 2-spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-ylacetate
CID 11483877
trimethyl 2-methyl-1H-pyrrolo[2,3-b]indole-2,3,4-tricarboxylate
CID 10617552
dimethyl (1R,15R,18R)-17-acetyl-14-oxo-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1,3-dicarboxylate
CID 25241931
9-acetyl-3,4-dihydro-2H-carbazol-1-one
CID 853608
methyl 8-hydroxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
CID 54688327
methyl 8-(1-phenylethylamino)-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
CID 20747812
1-carbazol-9-ylethanone;diaziridin-3-one
CID 174714920
methyl 1-[(1R)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-2-methylindole-3-carboxylate
CID 156561596
methyl 1-[(1S)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-2-methylindole-3-carboxylate
CID 156562021
methyl 8-alumanyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
CID 154548849
methyl (4S,6S)-4-(1,3-dioxolan-2-yl)-6-ethyl-7-methyl-7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraene-17-carboxylate
CID 10644691

Frequently Asked Questions

What is the IUPAC name of methyl 6'-oxospiro[1,3-dioxolane-2,9'-8,10-dihydro-7H-phenanthridine]-5'-carboxylate?
The IUPAC name of methyl 6'-oxospiro[1,3-dioxolane-2,9'-8,10-dihydro-7H-phenanthridine]-5'-carboxylate (CID 10757708) is methyl 6'-oxospiro[1,3-dioxolane-2,9'-8,10-dihydro-7H-phenanthridine]-5'-carboxylate.
What is the SMILES notation for methyl 6'-oxospiro[1,3-dioxolane-2,9'-8,10-dihydro-7H-phenanthridine]-5'-carboxylate?
The canonical SMILES for methyl 6'-oxospiro[1,3-dioxolane-2,9'-8,10-dihydro-7H-phenanthridine]-5'-carboxylate is COC(=O)n1c(=O)c2c(c3ccccc31)CC1(CC2)OCCO1.
What is the InChIKey of methyl 6'-oxospiro[1,3-dioxolane-2,9'-8,10-dihydro-7H-phenanthridine]-5'-carboxylate?
The InChIKey is ZIFIGLZDCYSYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-21-16(20)18-14-5-3-2-4-11(14)13-10-17(22-8-9-23-17)7-6-12(13)15(18)19/h2-5H,6-10H2,1H3.
What are the key properties of methyl 6'-oxospiro[1,3-dioxolane-2,9'-8,10-dihydro-7H-phenanthridine]-5'-carboxylate?
methyl 6'-oxospiro[1,3-dioxolane-2,9'-8,10-dihydro-7H-phenanthridine]-5'-carboxylate has a molecular weight of 315.32 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6'-oxospiro[1,3-dioxolane-2,9'-8,10-dihydro-7H-phenanthridine]-5'-carboxylate is sourced from PubChem (CID 10757708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).