N-(2-methoxy-2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C13H21NO2 — CID 71987214

IUPACN-(2-methoxy-2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCOC(C)(C)CNC(=O)C1CC2C=CC1C2
InChIInChI=1S/C13H21NO2/c1-13(2,16-3)8-14-12(15)11-7-9-4-5-10(11)6-9/h4-5,9-11H,6-8H2,1-3H3,(H,14,15)
InChIKeyMXIRTYZNPZDVMO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.74
Rot. Bonds4

About N-(2-methoxy-2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(2-methoxy-2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 71987214) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID71987214
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(2-methoxy-2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCOC(C)(C)CNC(=O)C1CC2C=CC1C2
InChIInChI=1S/C13H21NO2/c1-13(2,16-3)8-14-12(15)11-7-9-4-5-10(11)6-9/h4-5,9-11H,6-8H2,1-3H3,(H,14,15)
InChIKeyMXIRTYZNPZDVMO-UHFFFAOYSA-N
XLogP1.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
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 N-(2-methoxy-2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(2-methoxy-2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 71987214) is N-(2-methoxy-2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is COC(C)(C)CNC(=O)C1CC2C=CC1C2.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is MXIRTYZNPZDVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2,16-3)8-14-12(15)11-7-9-4-5-10(11)6-9/h4-5,9-11H,6-8H2,1-3H3,(H,14,15).
What are the key properties of N-(2-methoxy-2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(2-methoxy-2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 71987214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).