methyl 2-methyl-10-azatetracyclo[6.3.0.01,3.02,6]undec-4-ene-10-carboxylate

C13H17NO2 — CID 11063936

IUPACmethyl 2-methyl-10-azatetracyclo[6.3.0.01,3.02,6]undec-4-ene-10-carboxylate
SMILESCOC(=O)N1CC2CC3C=CC4C3(C)C24C1
InChIInChI=1S/C13H17NO2/c1-12-8-3-4-10(12)13(12)7-14(11(15)16-2)6-9(13)5-8/h3-4,8-10H,5-7H2,1-2H3
InChIKeyNVDMBNDYSYAUKR-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.90
Rot. Bonds

About methyl 2-methyl-10-azatetracyclo[6.3.0.01,3.02,6]undec-4-ene-10-carboxylate

methyl 2-methyl-10-azatetracyclo[6.3.0.01,3.02,6]undec-4-ene-10-carboxylate (PubChem CID 11063936) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-methyl-10-azatetracyclo[6.3.0.01,3.02,6]undec-4-ene-10-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-10-azatetracyclo[6.3.0.01,3.02,6]undec-4-ene-10-carboxylate
PubChem CID11063936
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 2-methyl-10-azatetracyclo[6.3.0.01,3.02,6]undec-4-ene-10-carboxylate
SMILESCOC(=O)N1CC2CC3C=CC4C3(C)C24C1
InChIInChI=1S/C13H17NO2/c1-12-8-3-4-10(12)13(12)7-14(11(15)16-2)6-9(13)5-8/h3-4,8-10H,5-7H2,1-2H3
InChIKeyNVDMBNDYSYAUKR-UHFFFAOYSA-N
XLogP1.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-10-azatetracyclo[6.3.0.01,3.02,6]undec-4-ene-10-carboxylate?
The IUPAC name of methyl 2-methyl-10-azatetracyclo[6.3.0.01,3.02,6]undec-4-ene-10-carboxylate (CID 11063936) is methyl 2-methyl-10-azatetracyclo[6.3.0.01,3.02,6]undec-4-ene-10-carboxylate.
What is the SMILES notation for methyl 2-methyl-10-azatetracyclo[6.3.0.01,3.02,6]undec-4-ene-10-carboxylate?
The canonical SMILES for methyl 2-methyl-10-azatetracyclo[6.3.0.01,3.02,6]undec-4-ene-10-carboxylate is COC(=O)N1CC2CC3C=CC4C3(C)C24C1.
What is the InChIKey of methyl 2-methyl-10-azatetracyclo[6.3.0.01,3.02,6]undec-4-ene-10-carboxylate?
The InChIKey is NVDMBNDYSYAUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-12-8-3-4-10(12)13(12)7-14(11(15)16-2)6-9(13)5-8/h3-4,8-10H,5-7H2,1-2H3.
What are the key properties of methyl 2-methyl-10-azatetracyclo[6.3.0.01,3.02,6]undec-4-ene-10-carboxylate?
methyl 2-methyl-10-azatetracyclo[6.3.0.01,3.02,6]undec-4-ene-10-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-10-azatetracyclo[6.3.0.01,3.02,6]undec-4-ene-10-carboxylate is sourced from PubChem (CID 11063936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).