1-ethylcyclohex-3-ene-1-carboxamide

C9H15NO — CID 66765185

IUPAC1-ethylcyclohex-3-ene-1-carboxamide
SMILESCCC1(C(N)=O)CC=CCC1
InChIInChI=1S/C9H15NO/c1-2-9(8(10)11)6-4-3-5-7-9/h3-4H,2,5-7H2,1H3,(H2,10,11)
InChIKeyPRTSAXFXQDAZDZ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.61
Rot. Bonds2

About 1-ethylcyclohex-3-ene-1-carboxamide

1-ethylcyclohex-3-ene-1-carboxamide (PubChem CID 66765185) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-ethylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name1-ethylcyclohex-3-ene-1-carboxamide
PubChem CID66765185
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-ethylcyclohex-3-ene-1-carboxamide
SMILESCCC1(C(N)=O)CC=CCC1
InChIInChI=1S/C9H15NO/c1-2-9(8(10)11)6-4-3-5-7-9/h3-4H,2,5-7H2,1H3,(H2,10,11)
InChIKeyPRTSAXFXQDAZDZ-UHFFFAOYSA-N
XLogP1.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
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 1-ethylcyclohex-3-ene-1-carboxamide?
The IUPAC name of 1-ethylcyclohex-3-ene-1-carboxamide (CID 66765185) is 1-ethylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 1-ethylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for 1-ethylcyclohex-3-ene-1-carboxamide is CCC1(C(N)=O)CC=CCC1.
What is the InChIKey of 1-ethylcyclohex-3-ene-1-carboxamide?
The InChIKey is PRTSAXFXQDAZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-9(8(10)11)6-4-3-5-7-9/h3-4H,2,5-7H2,1H3,(H2,10,11).
What are the key properties of 1-ethylcyclohex-3-ene-1-carboxamide?
1-ethylcyclohex-3-ene-1-carboxamide has a molecular weight of 153.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 66765185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).