5-methyl-2-(prop-2-enylamino)non-1-en-3-one

C13H23NO — CID 143352205

IUPAC5-methyl-2-(prop-2-enylamino)non-1-en-3-one
SMILESC=CCNC(=C)C(=O)CC(C)CCCC
InChIInChI=1S/C13H23NO/c1-5-7-8-11(3)10-13(15)12(4)14-9-6-2/h6,11,14H,2,4-5,7-10H2,1,3H3
InChIKeyMJRQDARGEONDLY-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.06
Rot. Bonds9

About 5-methyl-2-(prop-2-enylamino)non-1-en-3-one

5-methyl-2-(prop-2-enylamino)non-1-en-3-one (PubChem CID 143352205) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 5-methyl-2-(prop-2-enylamino)non-1-en-3-one.

Molecular Properties

Compound Name5-methyl-2-(prop-2-enylamino)non-1-en-3-one
PubChem CID143352205
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name5-methyl-2-(prop-2-enylamino)non-1-en-3-one
SMILESC=CCNC(=C)C(=O)CC(C)CCCC
InChIInChI=1S/C13H23NO/c1-5-7-8-11(3)10-13(15)12(4)14-9-6-2/h6,11,14H,2,4-5,7-10H2,1,3H3
InChIKeyMJRQDARGEONDLY-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-methyl-2-(prop-2-enylamino)non-1-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(prop-2-enylamino)non-1-en-3-one?
The IUPAC name of 5-methyl-2-(prop-2-enylamino)non-1-en-3-one (CID 143352205) is 5-methyl-2-(prop-2-enylamino)non-1-en-3-one.
What is the SMILES notation for 5-methyl-2-(prop-2-enylamino)non-1-en-3-one?
The canonical SMILES for 5-methyl-2-(prop-2-enylamino)non-1-en-3-one is C=CCNC(=C)C(=O)CC(C)CCCC.
What is the InChIKey of 5-methyl-2-(prop-2-enylamino)non-1-en-3-one?
The InChIKey is MJRQDARGEONDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-7-8-11(3)10-13(15)12(4)14-9-6-2/h6,11,14H,2,4-5,7-10H2,1,3H3.
What are the key properties of 5-methyl-2-(prop-2-enylamino)non-1-en-3-one?
5-methyl-2-(prop-2-enylamino)non-1-en-3-one has a molecular weight of 209.33 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(prop-2-enylamino)non-1-en-3-one is sourced from PubChem (CID 143352205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).