(E)-3-cyclohexyl-N,N,2-trimethylprop-2-enamide

C12H21NO — CID 134943122

IUPAC(E)-3-cyclohexyl-N,N,2-trimethylprop-2-enamide
SMILESC/C(=C\C1CCCCC1)C(=O)N(C)C
InChIInChI=1S/C12H21NO/c1-10(12(14)13(2)3)9-11-7-5-4-6-8-11/h9,11H,4-8H2,1-3H3/b10-9+
InChIKeyQVPQNSUCTYMRPU-MDZDMXLPSA-N
MW195.31 g/mol
LogP2.60
Rot. Bonds2

About (E)-3-cyclohexyl-N,N,2-trimethylprop-2-enamide

(E)-3-cyclohexyl-N,N,2-trimethylprop-2-enamide (PubChem CID 134943122) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (E)-3-cyclohexyl-N,N,2-trimethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-cyclohexyl-N,N,2-trimethylprop-2-enamide
PubChem CID134943122
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(E)-3-cyclohexyl-N,N,2-trimethylprop-2-enamide
SMILESC/C(=C\C1CCCCC1)C(=O)N(C)C
InChIInChI=1S/C12H21NO/c1-10(12(14)13(2)3)9-11-7-5-4-6-8-11/h9,11H,4-8H2,1-3H3/b10-9+
InChIKeyQVPQNSUCTYMRPU-MDZDMXLPSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
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-N,N,2-trimethylprop-2-enamide?
The IUPAC name of (E)-3-cyclohexyl-N,N,2-trimethylprop-2-enamide (CID 134943122) is (E)-3-cyclohexyl-N,N,2-trimethylprop-2-enamide.
What is the SMILES notation for (E)-3-cyclohexyl-N,N,2-trimethylprop-2-enamide?
The canonical SMILES for (E)-3-cyclohexyl-N,N,2-trimethylprop-2-enamide is C/C(=C\C1CCCCC1)C(=O)N(C)C.
What is the InChIKey of (E)-3-cyclohexyl-N,N,2-trimethylprop-2-enamide?
The InChIKey is QVPQNSUCTYMRPU-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(12(14)13(2)3)9-11-7-5-4-6-8-11/h9,11H,4-8H2,1-3H3/b10-9+.
What are the key properties of (E)-3-cyclohexyl-N,N,2-trimethylprop-2-enamide?
(E)-3-cyclohexyl-N,N,2-trimethylprop-2-enamide has a molecular weight of 195.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclohexyl-N,N,2-trimethylprop-2-enamide is sourced from PubChem (CID 134943122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).