2-(2-methylprop-2-enoyl)cyclohexan-1-one

C10H14O2 — CID 549755

IUPAC2-(2-methylprop-2-enoyl)cyclohexan-1-one
SMILESC=C(C)C(=O)C1CCCCC1=O
InChIInChI=1S/C10H14O2/c1-7(2)10(12)8-5-3-4-6-9(8)11/h8H,1,3-6H2,2H3
InChIKeyPSYHPQGVISCHIE-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.89
Rot. Bonds2

About 2-(2-methylprop-2-enoyl)cyclohexan-1-one

2-(2-methylprop-2-enoyl)cyclohexan-1-one (PubChem CID 549755) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyl)cyclohexan-1-one
PubChem CID549755
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-(2-methylprop-2-enoyl)cyclohexan-1-one
SMILESC=C(C)C(=O)C1CCCCC1=O
InChIInChI=1S/C10H14O2/c1-7(2)10(12)8-5-3-4-6-9(8)11/h8H,1,3-6H2,2H3
InChIKeyPSYHPQGVISCHIE-UHFFFAOYSA-N
XLogP1.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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-(2-methylprop-2-enoyl)cyclohexan-1-one?
The IUPAC name of 2-(2-methylprop-2-enoyl)cyclohexan-1-one (CID 549755) is 2-(2-methylprop-2-enoyl)cyclohexan-1-one.
What is the SMILES notation for 2-(2-methylprop-2-enoyl)cyclohexan-1-one?
The canonical SMILES for 2-(2-methylprop-2-enoyl)cyclohexan-1-one is C=C(C)C(=O)C1CCCCC1=O.
What is the InChIKey of 2-(2-methylprop-2-enoyl)cyclohexan-1-one?
The InChIKey is PSYHPQGVISCHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7(2)10(12)8-5-3-4-6-9(8)11/h8H,1,3-6H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoyl)cyclohexan-1-one?
2-(2-methylprop-2-enoyl)cyclohexan-1-one has a molecular weight of 166.22 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyl)cyclohexan-1-one is sourced from PubChem (CID 549755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).