N-[2-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]ethyl]prop-2-enamide

C11H16N2O — CID 118373885

IUPACN-[2-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCC/N=C/C=C\C=C/C
InChIInChI=1S/C11H16N2O/c1-3-5-6-7-8-12-9-10-13-11(14)4-2/h3-8H,2,9-10H2,1H3,(H,13,14)/b5-3-,7-6-,12-8+
InChIKeyUCPHOOUVLDROTE-SEMBMOQSSA-N
MW192.26 g/mol
LogP1.49
Rot. Bonds6

About N-[2-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]ethyl]prop-2-enamide

N-[2-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]ethyl]prop-2-enamide (PubChem CID 118373885) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-[2-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]ethyl]prop-2-enamide
PubChem CID118373885
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-[2-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCC/N=C/C=C\C=C/C
InChIInChI=1S/C11H16N2O/c1-3-5-6-7-8-12-9-10-13-11(14)4-2/h3-8H,2,9-10H2,1H3,(H,13,14)/b5-3-,7-6-,12-8+
InChIKeyUCPHOOUVLDROTE-SEMBMOQSSA-N
XLogP1.49
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-[2-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]ethyl]prop-2-enamide (CID 118373885) is N-[2-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]ethyl]prop-2-enamide is C=CC(=O)NCC/N=C/C=C\C=C/C.
What is the InChIKey of N-[2-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]ethyl]prop-2-enamide?
The InChIKey is UCPHOOUVLDROTE-SEMBMOQSSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-5-6-7-8-12-9-10-13-11(14)4-2/h3-8H,2,9-10H2,1H3,(H,13,14)/b5-3-,7-6-,12-8+.
What are the key properties of N-[2-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]ethyl]prop-2-enamide?
N-[2-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]ethyl]prop-2-enamide has a molecular weight of 192.26 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]ethyl]prop-2-enamide is sourced from PubChem (CID 118373885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).