(E)-3-cycloheptyl-N-methoxy-N-methylprop-2-enamide

C12H21NO2 — CID 138512244

IUPAC(E)-3-cycloheptyl-N-methoxy-N-methylprop-2-enamide
SMILESCON(C)C(=O)/C=C/C1CCCCCC1
InChIInChI=1S/C12H21NO2/c1-13(15-2)12(14)10-9-11-7-5-3-4-6-8-11/h9-11H,3-8H2,1-2H3/b10-9+
InChIKeyRMLNNADXLJAPOU-MDZDMXLPSA-N
MW211.31 g/mol
LogP2.53
Rot. Bonds3

About (E)-3-cycloheptyl-N-methoxy-N-methylprop-2-enamide

(E)-3-cycloheptyl-N-methoxy-N-methylprop-2-enamide (PubChem CID 138512244) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is (E)-3-cycloheptyl-N-methoxy-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-cycloheptyl-N-methoxy-N-methylprop-2-enamide
PubChem CID138512244
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name(E)-3-cycloheptyl-N-methoxy-N-methylprop-2-enamide
SMILESCON(C)C(=O)/C=C/C1CCCCCC1
InChIInChI=1S/C12H21NO2/c1-13(15-2)12(14)10-9-11-7-5-3-4-6-8-11/h9-11H,3-8H2,1-2H3/b10-9+
InChIKeyRMLNNADXLJAPOU-MDZDMXLPSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.53
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-cycloheptyl-N-methoxy-N-methylprop-2-enamide?
The IUPAC name of (E)-3-cycloheptyl-N-methoxy-N-methylprop-2-enamide (CID 138512244) is (E)-3-cycloheptyl-N-methoxy-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-cycloheptyl-N-methoxy-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-cycloheptyl-N-methoxy-N-methylprop-2-enamide is CON(C)C(=O)/C=C/C1CCCCCC1.
What is the InChIKey of (E)-3-cycloheptyl-N-methoxy-N-methylprop-2-enamide?
The InChIKey is RMLNNADXLJAPOU-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H21NO2/c1-13(15-2)12(14)10-9-11-7-5-3-4-6-8-11/h9-11H,3-8H2,1-2H3/b10-9+.
What are the key properties of (E)-3-cycloheptyl-N-methoxy-N-methylprop-2-enamide?
(E)-3-cycloheptyl-N-methoxy-N-methylprop-2-enamide has a molecular weight of 211.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cycloheptyl-N-methoxy-N-methylprop-2-enamide is sourced from PubChem (CID 138512244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).