6,7-dimethyl-N-prop-2-enyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide

C14H21NO2 — CID 2948640

IUPAC6,7-dimethyl-N-prop-2-enyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
SMILESC=CCNC(=O)C12CC3CCC1(C)C3(C)CO2
InChIInChI=1S/C14H21NO2/c1-4-7-15-11(16)14-8-10-5-6-13(14,3)12(10,2)9-17-14/h4,10H,1,5-9H2,2-3H3,(H,15,16)
InChIKeyIKOOIAQNZCTPEI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.88
Rot. Bonds3

About 6,7-dimethyl-N-prop-2-enyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide

6,7-dimethyl-N-prop-2-enyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide (PubChem CID 2948640) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 6,7-dimethyl-N-prop-2-enyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name6,7-dimethyl-N-prop-2-enyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
PubChem CID2948640
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name6,7-dimethyl-N-prop-2-enyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
SMILESC=CCNC(=O)C12CC3CCC1(C)C3(C)CO2
InChIInChI=1S/C14H21NO2/c1-4-7-15-11(16)14-8-10-5-6-13(14,3)12(10,2)9-17-14/h4,10H,1,5-9H2,2-3H3,(H,15,16)
InChIKeyIKOOIAQNZCTPEI-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.88
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 6,7-dimethyl-N-prop-2-enyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The IUPAC name of 6,7-dimethyl-N-prop-2-enyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide (CID 2948640) is 6,7-dimethyl-N-prop-2-enyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide.
What is the SMILES notation for 6,7-dimethyl-N-prop-2-enyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The canonical SMILES for 6,7-dimethyl-N-prop-2-enyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide is C=CCNC(=O)C12CC3CCC1(C)C3(C)CO2.
What is the InChIKey of 6,7-dimethyl-N-prop-2-enyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The InChIKey is IKOOIAQNZCTPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-7-15-11(16)14-8-10-5-6-13(14,3)12(10,2)9-17-14/h4,10H,1,5-9H2,2-3H3,(H,15,16).
What are the key properties of 6,7-dimethyl-N-prop-2-enyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
6,7-dimethyl-N-prop-2-enyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-N-prop-2-enyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide is sourced from PubChem (CID 2948640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).