N-ethyl-N-prop-2-enylcyclohexanecarboxamide

C12H21NO — CID 84559695

IUPACN-ethyl-N-prop-2-enylcyclohexanecarboxamide
SMILESC=CCN(CC)C(=O)C1CCCCC1
InChIInChI=1S/C12H21NO/c1-3-10-13(4-2)12(14)11-8-6-5-7-9-11/h3,11H,1,4-10H2,2H3
InChIKeySHCXSBZWHJMSID-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.60
Rot. Bonds4

About N-ethyl-N-prop-2-enylcyclohexanecarboxamide

N-ethyl-N-prop-2-enylcyclohexanecarboxamide (PubChem CID 84559695) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-ethyl-N-prop-2-enylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-ethyl-N-prop-2-enylcyclohexanecarboxamide
PubChem CID84559695
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-ethyl-N-prop-2-enylcyclohexanecarboxamide
SMILESC=CCN(CC)C(=O)C1CCCCC1
InChIInChI=1S/C12H21NO/c1-3-10-13(4-2)12(14)11-8-6-5-7-9-11/h3,11H,1,4-10H2,2H3
InChIKeySHCXSBZWHJMSID-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-prop-2-enylcyclohexanecarboxamide?
The IUPAC name of N-ethyl-N-prop-2-enylcyclohexanecarboxamide (CID 84559695) is N-ethyl-N-prop-2-enylcyclohexanecarboxamide.
What is the SMILES notation for N-ethyl-N-prop-2-enylcyclohexanecarboxamide?
The canonical SMILES for N-ethyl-N-prop-2-enylcyclohexanecarboxamide is C=CCN(CC)C(=O)C1CCCCC1.
What is the InChIKey of N-ethyl-N-prop-2-enylcyclohexanecarboxamide?
The InChIKey is SHCXSBZWHJMSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-10-13(4-2)12(14)11-8-6-5-7-9-11/h3,11H,1,4-10H2,2H3.
What are the key properties of N-ethyl-N-prop-2-enylcyclohexanecarboxamide?
N-ethyl-N-prop-2-enylcyclohexanecarboxamide has a molecular weight of 195.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-2-enylcyclohexanecarboxamide is sourced from PubChem (CID 84559695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).