(E)-3-propylhex-3-enamide

C9H17NO — CID 6446051

IUPAC(E)-3-propylhex-3-enamide
SMILESCC/C=C(\CCC)CC(N)=O
InChIInChI=1S/C9H17NO/c1-3-5-8(6-4-2)7-9(10)11/h5H,3-4,6-7H2,1-2H3,(H2,10,11)/b8-5+
InChIKeyMWGWJEARKSIRBK-VMPITWQZSA-N
MW155.24 g/mol
LogP2.00
Rot. Bonds5

About (E)-3-propylhex-3-enamide

(E)-3-propylhex-3-enamide (PubChem CID 6446051) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-3-propylhex-3-enamide.

Molecular Properties

Compound Name(E)-3-propylhex-3-enamide
PubChem CID6446051
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-3-propylhex-3-enamide
SMILESCC/C=C(\CCC)CC(N)=O
InChIInChI=1S/C9H17NO/c1-3-5-8(6-4-2)7-9(10)11/h5H,3-4,6-7H2,1-2H3,(H2,10,11)/b8-5+
InChIKeyMWGWJEARKSIRBK-VMPITWQZSA-N
XLogP2.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Arachidonoyl amine
CID 5283393
(9Z,12Z,15Z)-9,12,15-Octadecatrienamide
CID 9882094
Palmitoleamide
CID 56936054
Petroselinamide
CID 44322045
6-cis-Docosenamide
CID 44584605
Npc141743
CID 5365367
Eicosa-5,8,11,14-tetraenamide
CID 2220
(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenamide
CID 5353411
9,12,15-Octadecatrienamide
CID 6365786
(6Z,9Z,12Z)-octadeca-6,9,12-trienamide
CID 10221263
Palmitelaidamide
CID 19747173
(E)-tetradec-9-enamide
CID 19747174

Frequently Asked Questions

What is the IUPAC name of (E)-3-propylhex-3-enamide?
The IUPAC name of (E)-3-propylhex-3-enamide (CID 6446051) is (E)-3-propylhex-3-enamide.
What is the SMILES notation for (E)-3-propylhex-3-enamide?
The canonical SMILES for (E)-3-propylhex-3-enamide is CC/C=C(\CCC)CC(N)=O.
What is the InChIKey of (E)-3-propylhex-3-enamide?
The InChIKey is MWGWJEARKSIRBK-VMPITWQZSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-5-8(6-4-2)7-9(10)11/h5H,3-4,6-7H2,1-2H3,(H2,10,11)/b8-5+.
What are the key properties of (E)-3-propylhex-3-enamide?
(E)-3-propylhex-3-enamide has a molecular weight of 155.24 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-propylhex-3-enamide is sourced from PubChem (CID 6446051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).