(1R,2R,5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carboxamide

C11H17NO2 — CID 817667

IUPAC(1R,2R,5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carboxamide
SMILESC=C(C)[C@H]1CC(=O)[C@H](C)[C@H](C(N)=O)C1
InChIInChI=1S/C11H17NO2/c1-6(2)8-4-9(11(12)14)7(3)10(13)5-8/h7-9H,1,4-5H2,2-3H3,(H2,12,14)/t7-,8-,9-/m1/s1
InChIKeyYBBQBDVPSZBVMS-IWSPIJDZSA-N
MW195.26 g/mol
LogP1.28
Rot. Bonds2

About (1R,2R,5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carboxamide

(1R,2R,5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carboxamide (PubChem CID 817667) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (1R,2R,5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,2R,5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carboxamide
PubChem CID817667
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(1R,2R,5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carboxamide
SMILESC=C(C)[C@H]1CC(=O)[C@H](C)[C@H](C(N)=O)C1
InChIInChI=1S/C11H17NO2/c1-6(2)8-4-9(11(12)14)7(3)10(13)5-8/h7-9H,1,4-5H2,2-3H3,(H2,12,14)/t7-,8-,9-/m1/s1
InChIKeyYBBQBDVPSZBVMS-IWSPIJDZSA-N
XLogP1.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.28
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 (1R,2R,5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carboxamide?
The IUPAC name of (1R,2R,5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carboxamide (CID 817667) is (1R,2R,5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for (1R,2R,5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for (1R,2R,5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carboxamide is C=C(C)[C@H]1CC(=O)[C@H](C)[C@H](C(N)=O)C1.
What is the InChIKey of (1R,2R,5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carboxamide?
The InChIKey is YBBQBDVPSZBVMS-IWSPIJDZSA-N. The full InChI is InChI=1S/C11H17NO2/c1-6(2)8-4-9(11(12)14)7(3)10(13)5-8/h7-9H,1,4-5H2,2-3H3,(H2,12,14)/t7-,8-,9-/m1/s1.
What are the key properties of (1R,2R,5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carboxamide?
(1R,2R,5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carboxamide has a molecular weight of 195.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 817667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).