methyl 15-(hydroxyamino)-4-methoxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-triene-6-carboxylate

C19H27NO4 — CID 155150970

IUPACmethyl 15-(hydroxyamino)-4-methoxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-triene-6-carboxylate
SMILESCOC(=O)c1cc(OC)cc2c1CC1CCCCCC2(C)C1NO
InChIInChI=1S/C19H27NO4/c1-19-8-6-4-5-7-12(17(19)20-22)9-14-15(18(21)24-3)10-13(23-2)11-16(14)19/h10-12,17,20,22H,4-9H2,1-3H3
InChIKeyDMOMSBCCCIUBSG-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.22
Rot. Bonds3

About methyl 15-(hydroxyamino)-4-methoxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-triene-6-carboxylate

methyl 15-(hydroxyamino)-4-methoxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-triene-6-carboxylate (PubChem CID 155150970) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is methyl 15-(hydroxyamino)-4-methoxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-triene-6-carboxylate.

Molecular Properties

Compound Namemethyl 15-(hydroxyamino)-4-methoxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-triene-6-carboxylate
PubChem CID155150970
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Namemethyl 15-(hydroxyamino)-4-methoxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-triene-6-carboxylate
SMILESCOC(=O)c1cc(OC)cc2c1CC1CCCCCC2(C)C1NO
InChIInChI=1S/C19H27NO4/c1-19-8-6-4-5-7-12(17(19)20-22)9-14-15(18(21)24-3)10-13(23-2)11-16(14)19/h10-12,17,20,22H,4-9H2,1-3H3
InChIKeyDMOMSBCCCIUBSG-UHFFFAOYSA-N
XLogP3.22
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 15-(hydroxyamino)-4-methoxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-triene-6-carboxylate?
The IUPAC name of methyl 15-(hydroxyamino)-4-methoxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-triene-6-carboxylate (CID 155150970) is methyl 15-(hydroxyamino)-4-methoxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-triene-6-carboxylate.
What is the SMILES notation for methyl 15-(hydroxyamino)-4-methoxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-triene-6-carboxylate?
The canonical SMILES for methyl 15-(hydroxyamino)-4-methoxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-triene-6-carboxylate is COC(=O)c1cc(OC)cc2c1CC1CCCCCC2(C)C1NO.
What is the InChIKey of methyl 15-(hydroxyamino)-4-methoxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-triene-6-carboxylate?
The InChIKey is DMOMSBCCCIUBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-19-8-6-4-5-7-12(17(19)20-22)9-14-15(18(21)24-3)10-13(23-2)11-16(14)19/h10-12,17,20,22H,4-9H2,1-3H3.
What are the key properties of methyl 15-(hydroxyamino)-4-methoxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-triene-6-carboxylate?
methyl 15-(hydroxyamino)-4-methoxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-triene-6-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 15-(hydroxyamino)-4-methoxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-triene-6-carboxylate is sourced from PubChem (CID 155150970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).