2-methylidene-N-[(5Z)-5-(methyliminomethyl)octa-5,7-dien-2-yl]butanamide

C15H24N2O — CID 170343469

IUPAC2-methylidene-N-[(5Z)-5-(methyliminomethyl)octa-5,7-dien-2-yl]butanamide
SMILESC=C/C=C(\C=N\C)CCC(C)NC(=O)C(=C)CC
InChIInChI=1S/C15H24N2O/c1-6-8-14(11-16-5)10-9-13(4)17-15(18)12(3)7-2/h6,8,11,13H,1,3,7,9-10H2,2,4-5H3,(H,17,18)/b14-8-,16-11+
InChIKeyAGVXRBVPNYVXKJ-MIGJSOBLSA-N
MW248.37 g/mol
LogP3.05
Rot. Bonds8

About 2-methylidene-N-[(5Z)-5-(methyliminomethyl)octa-5,7-dien-2-yl]butanamide

2-methylidene-N-[(5Z)-5-(methyliminomethyl)octa-5,7-dien-2-yl]butanamide (PubChem CID 170343469) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methylidene-N-[(5Z)-5-(methyliminomethyl)octa-5,7-dien-2-yl]butanamide.

Molecular Properties

Compound Name2-methylidene-N-[(5Z)-5-(methyliminomethyl)octa-5,7-dien-2-yl]butanamide
PubChem CID170343469
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-methylidene-N-[(5Z)-5-(methyliminomethyl)octa-5,7-dien-2-yl]butanamide
SMILESC=C/C=C(\C=N\C)CCC(C)NC(=O)C(=C)CC
InChIInChI=1S/C15H24N2O/c1-6-8-14(11-16-5)10-9-13(4)17-15(18)12(3)7-2/h6,8,11,13H,1,3,7,9-10H2,2,4-5H3,(H,17,18)/b14-8-,16-11+
InChIKeyAGVXRBVPNYVXKJ-MIGJSOBLSA-N
XLogP3.05
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-[(5Z)-5-(methyliminomethyl)octa-5,7-dien-2-yl]butanamide?
The IUPAC name of 2-methylidene-N-[(5Z)-5-(methyliminomethyl)octa-5,7-dien-2-yl]butanamide (CID 170343469) is 2-methylidene-N-[(5Z)-5-(methyliminomethyl)octa-5,7-dien-2-yl]butanamide.
What is the SMILES notation for 2-methylidene-N-[(5Z)-5-(methyliminomethyl)octa-5,7-dien-2-yl]butanamide?
The canonical SMILES for 2-methylidene-N-[(5Z)-5-(methyliminomethyl)octa-5,7-dien-2-yl]butanamide is C=C/C=C(\C=N\C)CCC(C)NC(=O)C(=C)CC.
What is the InChIKey of 2-methylidene-N-[(5Z)-5-(methyliminomethyl)octa-5,7-dien-2-yl]butanamide?
The InChIKey is AGVXRBVPNYVXKJ-MIGJSOBLSA-N. The full InChI is InChI=1S/C15H24N2O/c1-6-8-14(11-16-5)10-9-13(4)17-15(18)12(3)7-2/h6,8,11,13H,1,3,7,9-10H2,2,4-5H3,(H,17,18)/b14-8-,16-11+.
What are the key properties of 2-methylidene-N-[(5Z)-5-(methyliminomethyl)octa-5,7-dien-2-yl]butanamide?
2-methylidene-N-[(5Z)-5-(methyliminomethyl)octa-5,7-dien-2-yl]butanamide has a molecular weight of 248.37 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-[(5Z)-5-(methyliminomethyl)octa-5,7-dien-2-yl]butanamide is sourced from PubChem (CID 170343469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).