3-propylhex-2-enamide

C9H17NO — CID 3041946

IUPAC3-propylhex-2-enamide
SMILESCCCC(=CC(N)=O)CCC
InChIInChI=1S/C9H17NO/c1-3-5-8(6-4-2)7-9(10)11/h7H,3-6H2,1-2H3,(H2,10,11)
InChIKeyNHMYHAJXJQVPIO-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.00
Rot. Bonds5

About 3-propylhex-2-enamide

3-propylhex-2-enamide (PubChem CID 3041946) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-propylhex-2-enamide.

Molecular Properties

Compound Name3-propylhex-2-enamide
PubChem CID3041946
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-propylhex-2-enamide
SMILESCCCC(=CC(N)=O)CCC
InChIInChI=1S/C9H17NO/c1-3-5-8(6-4-2)7-9(10)11/h7H,3-6H2,1-2H3,(H2,10,11)
InChIKeyNHMYHAJXJQVPIO-UHFFFAOYSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-propylhex-2-enamide?
The IUPAC name of 3-propylhex-2-enamide (CID 3041946) is 3-propylhex-2-enamide.
What is the SMILES notation for 3-propylhex-2-enamide?
The canonical SMILES for 3-propylhex-2-enamide is CCCC(=CC(N)=O)CCC.
What is the InChIKey of 3-propylhex-2-enamide?
The InChIKey is NHMYHAJXJQVPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-5-8(6-4-2)7-9(10)11/h7H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of 3-propylhex-2-enamide?
3-propylhex-2-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 3-propylhex-2-enamide is sourced from PubChem (CID 3041946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).