dimethyl 3-methyl-10-oxo-11-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),4,6,8,13,15(19)-hexaene-17,17-dicarboxylate

C24H23NO5 — CID 11269719

IUPACdimethyl 3-methyl-10-oxo-11-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),4,6,8,13,15(19)-hexaene-17,17-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2cc3c(cc2C1)CC1(C)c2ccccc2C(=O)N1C3
InChIInChI=1S/C24H23NO5/c1-23-10-14-8-15-11-24(21(27)29-2,22(28)30-3)12-16(15)9-17(14)13-25(23)20(26)18-6-4-5-7-19(18)23/h4-9H,10-13H2,1-3H3
InChIKeyDCVDBZMIVODCHX-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.54
Rot. Bonds2

About dimethyl 3-methyl-10-oxo-11-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),4,6,8,13,15(19)-hexaene-17,17-dicarboxylate

dimethyl 3-methyl-10-oxo-11-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),4,6,8,13,15(19)-hexaene-17,17-dicarboxylate (PubChem CID 11269719) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is dimethyl 3-methyl-10-oxo-11-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),4,6,8,13,15(19)-hexaene-17,17-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-methyl-10-oxo-11-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),4,6,8,13,15(19)-hexaene-17,17-dicarboxylate
PubChem CID11269719
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Namedimethyl 3-methyl-10-oxo-11-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),4,6,8,13,15(19)-hexaene-17,17-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2cc3c(cc2C1)CC1(C)c2ccccc2C(=O)N1C3
InChIInChI=1S/C24H23NO5/c1-23-10-14-8-15-11-24(21(27)29-2,22(28)30-3)12-16(15)9-17(14)13-25(23)20(26)18-6-4-5-7-19(18)23/h4-9H,10-13H2,1-3H3
InChIKeyDCVDBZMIVODCHX-UHFFFAOYSA-N
XLogP2.54
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dimethyl 3-methyl-10-oxo-11-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),4,6,8,13,15(19)-hexaene-17,17-dicarboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methyl-10-oxo-11-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),4,6,8,13,15(19)-hexaene-17,17-dicarboxylate?
The IUPAC name of dimethyl 3-methyl-10-oxo-11-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),4,6,8,13,15(19)-hexaene-17,17-dicarboxylate (CID 11269719) is dimethyl 3-methyl-10-oxo-11-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),4,6,8,13,15(19)-hexaene-17,17-dicarboxylate.
What is the SMILES notation for dimethyl 3-methyl-10-oxo-11-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),4,6,8,13,15(19)-hexaene-17,17-dicarboxylate?
The canonical SMILES for dimethyl 3-methyl-10-oxo-11-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),4,6,8,13,15(19)-hexaene-17,17-dicarboxylate is COC(=O)C1(C(=O)OC)Cc2cc3c(cc2C1)CC1(C)c2ccccc2C(=O)N1C3.
What is the InChIKey of dimethyl 3-methyl-10-oxo-11-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),4,6,8,13,15(19)-hexaene-17,17-dicarboxylate?
The InChIKey is DCVDBZMIVODCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-23-10-14-8-15-11-24(21(27)29-2,22(28)30-3)12-16(15)9-17(14)13-25(23)20(26)18-6-4-5-7-19(18)23/h4-9H,10-13H2,1-3H3.
What are the key properties of dimethyl 3-methyl-10-oxo-11-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),4,6,8,13,15(19)-hexaene-17,17-dicarboxylate?
dimethyl 3-methyl-10-oxo-11-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),4,6,8,13,15(19)-hexaene-17,17-dicarboxylate has a molecular weight of 405.45 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methyl-10-oxo-11-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),4,6,8,13,15(19)-hexaene-17,17-dicarboxylate is sourced from PubChem (CID 11269719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).