dimethyl 2-methoxy-7-methylidene-6,8,9,10-tetrahydro-5H-cycloocta[d]pyrimidine-5,9-dicarboxylate

C16H20N2O5 — CID 10519725

IUPACdimethyl 2-methoxy-7-methylidene-6,8,9,10-tetrahydro-5H-cycloocta[d]pyrimidine-5,9-dicarboxylate
SMILESC=C1CC(C(=O)OC)Cc2nc(OC)ncc2C(C(=O)OC)C1
InChIInChI=1S/C16H20N2O5/c1-9-5-10(14(19)21-2)7-13-12(8-17-16(18-13)23-4)11(6-9)15(20)22-3/h8,10-11H,1,5-7H2,2-4H3
InChIKeyBYWAKCFTBUOXNZ-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.42
Rot. Bonds3

About dimethyl 2-methoxy-7-methylidene-6,8,9,10-tetrahydro-5H-cycloocta[d]pyrimidine-5,9-dicarboxylate

dimethyl 2-methoxy-7-methylidene-6,8,9,10-tetrahydro-5H-cycloocta[d]pyrimidine-5,9-dicarboxylate (PubChem CID 10519725) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is dimethyl 2-methoxy-7-methylidene-6,8,9,10-tetrahydro-5H-cycloocta[d]pyrimidine-5,9-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-methoxy-7-methylidene-6,8,9,10-tetrahydro-5H-cycloocta[d]pyrimidine-5,9-dicarboxylate
PubChem CID10519725
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Namedimethyl 2-methoxy-7-methylidene-6,8,9,10-tetrahydro-5H-cycloocta[d]pyrimidine-5,9-dicarboxylate
SMILESC=C1CC(C(=O)OC)Cc2nc(OC)ncc2C(C(=O)OC)C1
InChIInChI=1S/C16H20N2O5/c1-9-5-10(14(19)21-2)7-13-12(8-17-16(18-13)23-4)11(6-9)15(20)22-3/h8,10-11H,1,5-7H2,2-4H3
InChIKeyBYWAKCFTBUOXNZ-UHFFFAOYSA-N
XLogP1.42
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate
CID 177053844
methyl 1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693538
carbonic acid;methyl 3-methylidenecyclopentane-1-carboxylate
CID 70064692
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173
methyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylate
CID 119053655
N-(4-cyclopropyl-2-methoxypyrimidin-5-yl)propanamide
CID 170387996
methyl (5R)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate
CID 99996671
tert-butyl 2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 59569432
methyl 3-cyclopropyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylate
CID 156536133
dimethyl (4S,9R)-4,5,9,10-tetrahydropyrene-4,9-dicarboxylate
CID 102370718
methyl (6S)-2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylate
CID 99991123
cis-methyl (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylate;hydrochloride
CID 45262154

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methoxy-7-methylidene-6,8,9,10-tetrahydro-5H-cycloocta[d]pyrimidine-5,9-dicarboxylate?
The IUPAC name of dimethyl 2-methoxy-7-methylidene-6,8,9,10-tetrahydro-5H-cycloocta[d]pyrimidine-5,9-dicarboxylate (CID 10519725) is dimethyl 2-methoxy-7-methylidene-6,8,9,10-tetrahydro-5H-cycloocta[d]pyrimidine-5,9-dicarboxylate.
What is the SMILES notation for dimethyl 2-methoxy-7-methylidene-6,8,9,10-tetrahydro-5H-cycloocta[d]pyrimidine-5,9-dicarboxylate?
The canonical SMILES for dimethyl 2-methoxy-7-methylidene-6,8,9,10-tetrahydro-5H-cycloocta[d]pyrimidine-5,9-dicarboxylate is C=C1CC(C(=O)OC)Cc2nc(OC)ncc2C(C(=O)OC)C1.
What is the InChIKey of dimethyl 2-methoxy-7-methylidene-6,8,9,10-tetrahydro-5H-cycloocta[d]pyrimidine-5,9-dicarboxylate?
The InChIKey is BYWAKCFTBUOXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-9-5-10(14(19)21-2)7-13-12(8-17-16(18-13)23-4)11(6-9)15(20)22-3/h8,10-11H,1,5-7H2,2-4H3.
What are the key properties of dimethyl 2-methoxy-7-methylidene-6,8,9,10-tetrahydro-5H-cycloocta[d]pyrimidine-5,9-dicarboxylate?
dimethyl 2-methoxy-7-methylidene-6,8,9,10-tetrahydro-5H-cycloocta[d]pyrimidine-5,9-dicarboxylate has a molecular weight of 320.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methoxy-7-methylidene-6,8,9,10-tetrahydro-5H-cycloocta[d]pyrimidine-5,9-dicarboxylate is sourced from PubChem (CID 10519725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).