(E)-N-methoxy-N-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide

C14H23NO2 — CID 10561866

IUPAC(E)-N-methoxy-N-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide
SMILESCON(C)C(=O)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C14H23NO2/c1-11-7-6-10-14(2,3)12(11)8-9-13(16)15(4)17-5/h8-9H,6-7,10H2,1-5H3/b9-8+
InChIKeyVRNHBFRZWYVYKC-CMDGGOBGSA-N
MW237.34 g/mol
LogP3.09
Rot. Bonds3

About (E)-N-methoxy-N-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide

(E)-N-methoxy-N-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide (PubChem CID 10561866) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (E)-N-methoxy-N-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methoxy-N-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide
PubChem CID10561866
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(E)-N-methoxy-N-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide
SMILESCON(C)C(=O)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C14H23NO2/c1-11-7-6-10-14(2,3)12(11)8-9-13(16)15(4)17-5/h8-9H,6-7,10H2,1-5H3/b9-8+
InChIKeyVRNHBFRZWYVYKC-CMDGGOBGSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
CID 77238031
(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoic acid
CID 5383969
sodium;(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one;acetate
CID 70627257
carbon monoxide;iron;(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
CID 11759358
(E)-N-methyl-N-piperidin-3-yl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide;hydrochloride
CID 66858178
N,N-dimethyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethenamine
CID 57117640
pyrazine;(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
CID 67566143
(4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienal
CID 148810051
(2E,4Z,6E,8E)-6,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
CID 122380251
2-[(1E,3E)-5-methoxy-3-methylpenta-1,3-dienyl]-1,3,3-trimethylcyclohexene
CID 10331613
5-hydroxy-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-3-one
CID 71336953
[3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl] acetate
CID 73097224

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-N-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide?
The IUPAC name of (E)-N-methoxy-N-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide (CID 10561866) is (E)-N-methoxy-N-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-methoxy-N-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide?
The canonical SMILES for (E)-N-methoxy-N-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide is CON(C)C(=O)/C=C/C1=C(C)CCCC1(C)C.
What is the InChIKey of (E)-N-methoxy-N-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide?
The InChIKey is VRNHBFRZWYVYKC-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-7-6-10-14(2,3)12(11)8-9-13(16)15(4)17-5/h8-9H,6-7,10H2,1-5H3/b9-8+.
What are the key properties of (E)-N-methoxy-N-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide?
(E)-N-methoxy-N-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide has a molecular weight of 237.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-N-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide is sourced from PubChem (CID 10561866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).