N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]ethanimine

C11H17NO — CID 166783337

IUPACN-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]ethanimine
SMILESC=C(/N=C/C)/C(=C\CC)OC1CC1
InChIInChI=1S/C11H17NO/c1-4-6-11(9(3)12-5-2)13-10-7-8-10/h5-6,10H,3-4,7-8H2,1-2H3/b11-6+,12-5+
InChIKeySVEUZJZMPNRRFJ-HFQMJBPSSA-N
MW179.26 g/mol
LogP3.06
Rot. Bonds5

About N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]ethanimine

N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]ethanimine (PubChem CID 166783337) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]ethanimine
PubChem CID166783337
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]ethanimine
SMILESC=C(/N=C/C)/C(=C\CC)OC1CC1
InChIInChI=1S/C11H17NO/c1-4-6-11(9(3)12-5-2)13-10-7-8-10/h5-6,10H,3-4,7-8H2,1-2H3/b11-6+,12-5+
InChIKeySVEUZJZMPNRRFJ-HFQMJBPSSA-N
XLogP3.06
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.06
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]ethanimine?
The IUPAC name of N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]ethanimine (CID 166783337) is N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]ethanimine.
What is the SMILES notation for N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]ethanimine?
The canonical SMILES for N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]ethanimine is C=C(/N=C/C)/C(=C\CC)OC1CC1.
What is the InChIKey of N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]ethanimine?
The InChIKey is SVEUZJZMPNRRFJ-HFQMJBPSSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-6-11(9(3)12-5-2)13-10-7-8-10/h5-6,10H,3-4,7-8H2,1-2H3/b11-6+,12-5+.
What are the key properties of N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]ethanimine?
N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]ethanimine has a molecular weight of 179.26 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]ethanimine is sourced from PubChem (CID 166783337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).