(Z)-2-[[(Z)-hex-2-enylidene]amino]-N-pentan-3-ylbut-2-enamide

C15H26N2O — CID 166981310

IUPAC(Z)-2-[[(Z)-hex-2-enylidene]amino]-N-pentan-3-ylbut-2-enamide
SMILESC/C=C(\N=C\C=C/CCC)C(=O)NC(CC)CC
InChIInChI=1S/C15H26N2O/c1-5-9-10-11-12-16-14(8-4)15(18)17-13(6-2)7-3/h8,10-13H,5-7,9H2,1-4H3,(H,17,18)/b11-10-,14-8-,16-12+
InChIKeyRLQGFFFQOCXHET-NMCQEZCASA-N
MW250.39 g/mol
LogP3.62
Rot. Bonds8

About (Z)-2-[[(Z)-hex-2-enylidene]amino]-N-pentan-3-ylbut-2-enamide

(Z)-2-[[(Z)-hex-2-enylidene]amino]-N-pentan-3-ylbut-2-enamide (PubChem CID 166981310) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (Z)-2-[[(Z)-hex-2-enylidene]amino]-N-pentan-3-ylbut-2-enamide.

Molecular Properties

Compound Name(Z)-2-[[(Z)-hex-2-enylidene]amino]-N-pentan-3-ylbut-2-enamide
PubChem CID166981310
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(Z)-2-[[(Z)-hex-2-enylidene]amino]-N-pentan-3-ylbut-2-enamide
SMILESC/C=C(\N=C\C=C/CCC)C(=O)NC(CC)CC
InChIInChI=1S/C15H26N2O/c1-5-9-10-11-12-16-14(8-4)15(18)17-13(6-2)7-3/h8,10-13H,5-7,9H2,1-4H3,(H,17,18)/b11-10-,14-8-,16-12+
InChIKeyRLQGFFFQOCXHET-NMCQEZCASA-N
XLogP3.62
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.62
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[(Z)-hex-2-enylidene]amino]-N-pentan-3-ylbut-2-enamide?
The IUPAC name of (Z)-2-[[(Z)-hex-2-enylidene]amino]-N-pentan-3-ylbut-2-enamide (CID 166981310) is (Z)-2-[[(Z)-hex-2-enylidene]amino]-N-pentan-3-ylbut-2-enamide.
What is the SMILES notation for (Z)-2-[[(Z)-hex-2-enylidene]amino]-N-pentan-3-ylbut-2-enamide?
The canonical SMILES for (Z)-2-[[(Z)-hex-2-enylidene]amino]-N-pentan-3-ylbut-2-enamide is C/C=C(\N=C\C=C/CCC)C(=O)NC(CC)CC.
What is the InChIKey of (Z)-2-[[(Z)-hex-2-enylidene]amino]-N-pentan-3-ylbut-2-enamide?
The InChIKey is RLQGFFFQOCXHET-NMCQEZCASA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-9-10-11-12-16-14(8-4)15(18)17-13(6-2)7-3/h8,10-13H,5-7,9H2,1-4H3,(H,17,18)/b11-10-,14-8-,16-12+.
What are the key properties of (Z)-2-[[(Z)-hex-2-enylidene]amino]-N-pentan-3-ylbut-2-enamide?
(Z)-2-[[(Z)-hex-2-enylidene]amino]-N-pentan-3-ylbut-2-enamide has a molecular weight of 250.39 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[(Z)-hex-2-enylidene]amino]-N-pentan-3-ylbut-2-enamide is sourced from PubChem (CID 166981310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).