(E)-3-cyclobutyl-N-ethylprop-2-enamide

C9H15NO — CID 131232424

IUPAC(E)-3-cyclobutyl-N-ethylprop-2-enamide
SMILESCCNC(=O)/C=C/C1CCC1
InChIInChI=1S/C9H15NO/c1-2-10-9(11)7-6-8-4-3-5-8/h6-8H,2-5H2,1H3,(H,10,11)/b7-6+
InChIKeyBBTPMNAPVHRKPC-VOTSOKGWSA-N
MW153.22 g/mol
LogP1.48
Rot. Bonds3

About (E)-3-cyclobutyl-N-ethylprop-2-enamide

(E)-3-cyclobutyl-N-ethylprop-2-enamide (PubChem CID 131232424) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (E)-3-cyclobutyl-N-ethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-cyclobutyl-N-ethylprop-2-enamide
PubChem CID131232424
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(E)-3-cyclobutyl-N-ethylprop-2-enamide
SMILESCCNC(=O)/C=C/C1CCC1
InChIInChI=1S/C9H15NO/c1-2-10-9(11)7-6-8-4-3-5-8/h6-8H,2-5H2,1H3,(H,10,11)/b7-6+
InChIKeyBBTPMNAPVHRKPC-VOTSOKGWSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
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-cyclobutyl-N-ethylprop-2-enamide?
The IUPAC name of (E)-3-cyclobutyl-N-ethylprop-2-enamide (CID 131232424) is (E)-3-cyclobutyl-N-ethylprop-2-enamide.
What is the SMILES notation for (E)-3-cyclobutyl-N-ethylprop-2-enamide?
The canonical SMILES for (E)-3-cyclobutyl-N-ethylprop-2-enamide is CCNC(=O)/C=C/C1CCC1.
What is the InChIKey of (E)-3-cyclobutyl-N-ethylprop-2-enamide?
The InChIKey is BBTPMNAPVHRKPC-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-10-9(11)7-6-8-4-3-5-8/h6-8H,2-5H2,1H3,(H,10,11)/b7-6+.
What are the key properties of (E)-3-cyclobutyl-N-ethylprop-2-enamide?
(E)-3-cyclobutyl-N-ethylprop-2-enamide has a molecular weight of 153.22 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclobutyl-N-ethylprop-2-enamide is sourced from PubChem (CID 131232424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).