(E)-3-cyclohexyl-2-methylprop-2-enamide

C10H17NO — CID 21225951

IUPAC(E)-3-cyclohexyl-2-methylprop-2-enamide
SMILESC/C(=C\C1CCCCC1)C(N)=O
InChIInChI=1S/C10H17NO/c1-8(10(11)12)7-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H2,11,12)/b8-7+
InChIKeyDVIZCZPFDWCYDC-BQYQJAHWSA-N
MW167.25 g/mol
LogP2.00
Rot. Bonds2

About (E)-3-cyclohexyl-2-methylprop-2-enamide

(E)-3-cyclohexyl-2-methylprop-2-enamide (PubChem CID 21225951) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (E)-3-cyclohexyl-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-cyclohexyl-2-methylprop-2-enamide
PubChem CID21225951
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(E)-3-cyclohexyl-2-methylprop-2-enamide
SMILESC/C(=C\C1CCCCC1)C(N)=O
InChIInChI=1S/C10H17NO/c1-8(10(11)12)7-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H2,11,12)/b8-7+
InChIKeyDVIZCZPFDWCYDC-BQYQJAHWSA-N
XLogP2.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclohexyl-2-methylprop-2-enamide?
The IUPAC name of (E)-3-cyclohexyl-2-methylprop-2-enamide (CID 21225951) is (E)-3-cyclohexyl-2-methylprop-2-enamide.
What is the SMILES notation for (E)-3-cyclohexyl-2-methylprop-2-enamide?
The canonical SMILES for (E)-3-cyclohexyl-2-methylprop-2-enamide is C/C(=C\C1CCCCC1)C(N)=O.
What is the InChIKey of (E)-3-cyclohexyl-2-methylprop-2-enamide?
The InChIKey is DVIZCZPFDWCYDC-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(10(11)12)7-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H2,11,12)/b8-7+.
What are the key properties of (E)-3-cyclohexyl-2-methylprop-2-enamide?
(E)-3-cyclohexyl-2-methylprop-2-enamide has a molecular weight of 167.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclohexyl-2-methylprop-2-enamide is sourced from PubChem (CID 21225951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).