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

C10H15NO — CID 166783162

IUPACN-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]methanimine
SMILESC=NC(=C)/C(=C\CC)OC1CC1
InChIInChI=1S/C10H15NO/c1-4-5-10(8(2)11-3)12-9-6-7-9/h5,9H,2-4,6-7H2,1H3/b10-5+
InChIKeyPHBWMQUTALMDDO-BJMVGYQFSA-N
MW165.24 g/mol
LogP2.67
Rot. Bonds5

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

N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]methanimine (PubChem CID 166783162) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]methanimine
PubChem CID166783162
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]methanimine
SMILESC=NC(=C)/C(=C\CC)OC1CC1
InChIInChI=1S/C10H15NO/c1-4-5-10(8(2)11-3)12-9-6-7-9/h5,9H,2-4,6-7H2,1H3/b10-5+
InChIKeyPHBWMQUTALMDDO-BJMVGYQFSA-N
XLogP2.67
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 ≤ 52.67
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]methanimine?
The IUPAC name of N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]methanimine (CID 166783162) is N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]methanimine.
What is the SMILES notation for N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]methanimine?
The canonical SMILES for N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]methanimine is C=NC(=C)/C(=C\CC)OC1CC1.
What is the InChIKey of N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]methanimine?
The InChIKey is PHBWMQUTALMDDO-BJMVGYQFSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-5-10(8(2)11-3)12-9-6-7-9/h5,9H,2-4,6-7H2,1H3/b10-5+.
What are the key properties of N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]methanimine?
N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]methanimine has a molecular weight of 165.24 g/mol, XLogP of 2.67, 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]methanimine is sourced from PubChem (CID 166783162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).