N-(6-oxooct-7-en-3-yl)prop-2-enamide

C11H17NO2 — CID 58231914

IUPACN-(6-oxooct-7-en-3-yl)prop-2-enamide
SMILESC=CC(=O)CCC(CC)NC(=O)C=C
InChIInChI=1S/C11H17NO2/c1-4-9(12-11(14)6-3)7-8-10(13)5-2/h5-6,9H,2-4,7-8H2,1H3,(H,12,14)
InChIKeyXHMKEYBBWLWPEM-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.60
Rot. Bonds7

About N-(6-oxooct-7-en-3-yl)prop-2-enamide

N-(6-oxooct-7-en-3-yl)prop-2-enamide (PubChem CID 58231914) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-(6-oxooct-7-en-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(6-oxooct-7-en-3-yl)prop-2-enamide
PubChem CID58231914
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-(6-oxooct-7-en-3-yl)prop-2-enamide
SMILESC=CC(=O)CCC(CC)NC(=O)C=C
InChIInChI=1S/C11H17NO2/c1-4-9(12-11(14)6-3)7-8-10(13)5-2/h5-6,9H,2-4,7-8H2,1H3,(H,12,14)
InChIKeyXHMKEYBBWLWPEM-UHFFFAOYSA-N
XLogP1.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(6-oxooct-7-en-3-yl)prop-2-enamide?
The IUPAC name of N-(6-oxooct-7-en-3-yl)prop-2-enamide (CID 58231914) is N-(6-oxooct-7-en-3-yl)prop-2-enamide.
What is the SMILES notation for N-(6-oxooct-7-en-3-yl)prop-2-enamide?
The canonical SMILES for N-(6-oxooct-7-en-3-yl)prop-2-enamide is C=CC(=O)CCC(CC)NC(=O)C=C.
What is the InChIKey of N-(6-oxooct-7-en-3-yl)prop-2-enamide?
The InChIKey is XHMKEYBBWLWPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-9(12-11(14)6-3)7-8-10(13)5-2/h5-6,9H,2-4,7-8H2,1H3,(H,12,14).
What are the key properties of N-(6-oxooct-7-en-3-yl)prop-2-enamide?
N-(6-oxooct-7-en-3-yl)prop-2-enamide has a molecular weight of 195.26 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxooct-7-en-3-yl)prop-2-enamide is sourced from PubChem (CID 58231914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).