cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide

C14H23NO3 — CID 174857281

IUPACcyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide
SMILESC=C(C)C(=O)OC1CCCCC1.C=C(C)C(N)=O
InChIInChI=1S/C10H16O2.C4H7NO/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-3(2)4(5)6/h9H,1,3-7H2,2H3;1H2,2H3,(H2,5,6)
InChIKeyMHJVTUZWFWXDMA-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.49
Rot. Bonds3

About cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide

cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide (PubChem CID 174857281) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide.

Molecular Properties

Compound Namecyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide
PubChem CID174857281
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namecyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide
SMILESC=C(C)C(=O)OC1CCCCC1.C=C(C)C(N)=O
InChIInChI=1S/C10H16O2.C4H7NO/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-3(2)4(5)6/h9H,1,3-7H2,2H3;1H2,2H3,(H2,5,6)
InChIKeyMHJVTUZWFWXDMA-UHFFFAOYSA-N
XLogP2.49
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265
[4-[4-(2-methylprop-2-enoyloxy)cyclohexyl]cycloheptyl] 2-methylprop-2-enoate
CID 126595758
butane-2,2-diol;cyclohexyl 2-methylprop-2-enoate
CID 174949119
bis(cyclohexyl 2-methylprop-2-enoate);terephthalic acid
CID 174502958
cyclohexyloxycarbonyl 2-methylprop-2-enoate
CID 156840126
tert-butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 174729608
[4-[4-[cyclohexyl-(4-cyclohexylcyclohexyl)amino]cyclohexyl]cyclohexyl] 2-methylprop-2-enoate
CID 140571076
cyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate
CID 159401375
cyclobutyl 2-methylprop-2-enoate;ethyl prop-2-enoate
CID 70467562

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide?
The IUPAC name of cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide (CID 174857281) is cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide.
What is the SMILES notation for cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide?
The canonical SMILES for cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide is C=C(C)C(=O)OC1CCCCC1.C=C(C)C(N)=O.
What is the InChIKey of cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide?
The InChIKey is MHJVTUZWFWXDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.C4H7NO/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-3(2)4(5)6/h9H,1,3-7H2,2H3;1H2,2H3,(H2,5,6).
What are the key properties of cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide?
cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide has a molecular weight of 253.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide is sourced from PubChem (CID 174857281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).