2-methyl-5-prop-2-enoylcyclohex-3-ene-1-carboxamide

C11H15NO2 — CID 175933713

IUPAC2-methyl-5-prop-2-enoylcyclohex-3-ene-1-carboxamide
SMILESC=CC(=O)C1C=CC(C)C(C(N)=O)C1
InChIInChI=1S/C11H15NO2/c1-3-10(13)8-5-4-7(2)9(6-8)11(12)14/h3-5,7-9H,1,6H2,2H3,(H2,12,14)
InChIKeyMVKDVSVAAYNXQC-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.06
Rot. Bonds3

About 2-methyl-5-prop-2-enoylcyclohex-3-ene-1-carboxamide

2-methyl-5-prop-2-enoylcyclohex-3-ene-1-carboxamide (PubChem CID 175933713) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-methyl-5-prop-2-enoylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name2-methyl-5-prop-2-enoylcyclohex-3-ene-1-carboxamide
PubChem CID175933713
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-methyl-5-prop-2-enoylcyclohex-3-ene-1-carboxamide
SMILESC=CC(=O)C1C=CC(C)C(C(N)=O)C1
InChIInChI=1S/C11H15NO2/c1-3-10(13)8-5-4-7(2)9(6-8)11(12)14/h3-5,7-9H,1,6H2,2H3,(H2,12,14)
InChIKeyMVKDVSVAAYNXQC-UHFFFAOYSA-N
XLogP1.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-prop-2-enoylcyclohex-3-ene-1-carboxamide?
The IUPAC name of 2-methyl-5-prop-2-enoylcyclohex-3-ene-1-carboxamide (CID 175933713) is 2-methyl-5-prop-2-enoylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 2-methyl-5-prop-2-enoylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for 2-methyl-5-prop-2-enoylcyclohex-3-ene-1-carboxamide is C=CC(=O)C1C=CC(C)C(C(N)=O)C1.
What is the InChIKey of 2-methyl-5-prop-2-enoylcyclohex-3-ene-1-carboxamide?
The InChIKey is MVKDVSVAAYNXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-10(13)8-5-4-7(2)9(6-8)11(12)14/h3-5,7-9H,1,6H2,2H3,(H2,12,14).
What are the key properties of 2-methyl-5-prop-2-enoylcyclohex-3-ene-1-carboxamide?
2-methyl-5-prop-2-enoylcyclohex-3-ene-1-carboxamide has a molecular weight of 193.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-prop-2-enoylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 175933713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).