N-[(Z)-3-propan-2-yloxyprop-1-enyl]buta-1,3-dien-1-imine

C10H15NO — CID 137384723

IUPACN-[(Z)-3-propan-2-yloxyprop-1-enyl]buta-1,3-dien-1-imine
SMILESC=CC=C=N/C=C\COC(C)C
InChIInChI=1S/C10H15NO/c1-4-5-7-11-8-6-9-12-10(2)3/h4-6,8,10H,1,9H2,2-3H3/b8-6-
InChIKeyOCSAAIWWHZOMDR-VURMDHGXSA-N
MW165.24 g/mol
LogP2.34
Rot. Bonds5

About N-[(Z)-3-propan-2-yloxyprop-1-enyl]buta-1,3-dien-1-imine

N-[(Z)-3-propan-2-yloxyprop-1-enyl]buta-1,3-dien-1-imine (PubChem CID 137384723) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[(Z)-3-propan-2-yloxyprop-1-enyl]buta-1,3-dien-1-imine.

Molecular Properties

Compound NameN-[(Z)-3-propan-2-yloxyprop-1-enyl]buta-1,3-dien-1-imine
PubChem CID137384723
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-[(Z)-3-propan-2-yloxyprop-1-enyl]buta-1,3-dien-1-imine
SMILESC=CC=C=N/C=C\COC(C)C
InChIInChI=1S/C10H15NO/c1-4-5-7-11-8-6-9-12-10(2)3/h4-6,8,10H,1,9H2,2-3H3/b8-6-
InChIKeyOCSAAIWWHZOMDR-VURMDHGXSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(Z)-3-propan-2-yloxyprop-1-enyl]buta-1,3-dien-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-propan-2-yloxyprop-1-enyl]buta-1,3-dien-1-imine?
The IUPAC name of N-[(Z)-3-propan-2-yloxyprop-1-enyl]buta-1,3-dien-1-imine (CID 137384723) is N-[(Z)-3-propan-2-yloxyprop-1-enyl]buta-1,3-dien-1-imine.
What is the SMILES notation for N-[(Z)-3-propan-2-yloxyprop-1-enyl]buta-1,3-dien-1-imine?
The canonical SMILES for N-[(Z)-3-propan-2-yloxyprop-1-enyl]buta-1,3-dien-1-imine is C=CC=C=N/C=C\COC(C)C.
What is the InChIKey of N-[(Z)-3-propan-2-yloxyprop-1-enyl]buta-1,3-dien-1-imine?
The InChIKey is OCSAAIWWHZOMDR-VURMDHGXSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-5-7-11-8-6-9-12-10(2)3/h4-6,8,10H,1,9H2,2-3H3/b8-6-.
What are the key properties of N-[(Z)-3-propan-2-yloxyprop-1-enyl]buta-1,3-dien-1-imine?
N-[(Z)-3-propan-2-yloxyprop-1-enyl]buta-1,3-dien-1-imine has a molecular weight of 165.24 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-propan-2-yloxyprop-1-enyl]buta-1,3-dien-1-imine is sourced from PubChem (CID 137384723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).