N-[(Z)-3-prop-1-en-2-yloxybut-2-enyl]prop-2-en-1-imine

C10H15NO — CID 145079594

IUPACN-[(Z)-3-prop-1-en-2-yloxybut-2-enyl]prop-2-en-1-imine
SMILESC=C/C=N/C/C=C(/C)OC(=C)C
InChIInChI=1S/C10H15NO/c1-5-7-11-8-6-10(4)12-9(2)3/h5-7H,1-2,8H2,3-4H3/b10-6-,11-7+
InChIKeyUTMWLMRNUZRDAS-NAKBGQTNSA-N
MW165.24 g/mol
LogP2.70
Rot. Bonds5

About N-[(Z)-3-prop-1-en-2-yloxybut-2-enyl]prop-2-en-1-imine

N-[(Z)-3-prop-1-en-2-yloxybut-2-enyl]prop-2-en-1-imine (PubChem CID 145079594) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[(Z)-3-prop-1-en-2-yloxybut-2-enyl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[(Z)-3-prop-1-en-2-yloxybut-2-enyl]prop-2-en-1-imine
PubChem CID145079594
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-[(Z)-3-prop-1-en-2-yloxybut-2-enyl]prop-2-en-1-imine
SMILESC=C/C=N/C/C=C(/C)OC(=C)C
InChIInChI=1S/C10H15NO/c1-5-7-11-8-6-10(4)12-9(2)3/h5-7H,1-2,8H2,3-4H3/b10-6-,11-7+
InChIKeyUTMWLMRNUZRDAS-NAKBGQTNSA-N
XLogP2.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-prop-1-en-2-yloxybut-2-enyl]prop-2-en-1-imine?
The IUPAC name of N-[(Z)-3-prop-1-en-2-yloxybut-2-enyl]prop-2-en-1-imine (CID 145079594) is N-[(Z)-3-prop-1-en-2-yloxybut-2-enyl]prop-2-en-1-imine.
What is the SMILES notation for N-[(Z)-3-prop-1-en-2-yloxybut-2-enyl]prop-2-en-1-imine?
The canonical SMILES for N-[(Z)-3-prop-1-en-2-yloxybut-2-enyl]prop-2-en-1-imine is C=C/C=N/C/C=C(/C)OC(=C)C.
What is the InChIKey of N-[(Z)-3-prop-1-en-2-yloxybut-2-enyl]prop-2-en-1-imine?
The InChIKey is UTMWLMRNUZRDAS-NAKBGQTNSA-N. The full InChI is InChI=1S/C10H15NO/c1-5-7-11-8-6-10(4)12-9(2)3/h5-7H,1-2,8H2,3-4H3/b10-6-,11-7+.
What are the key properties of N-[(Z)-3-prop-1-en-2-yloxybut-2-enyl]prop-2-en-1-imine?
N-[(Z)-3-prop-1-en-2-yloxybut-2-enyl]prop-2-en-1-imine has a molecular weight of 165.24 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-prop-1-en-2-yloxybut-2-enyl]prop-2-en-1-imine is sourced from PubChem (CID 145079594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).