N-methylprop-2-en-1-imine;penta-1,3-diene

C9H15N — CID 54302890

IUPACN-methylprop-2-en-1-imine;penta-1,3-diene
SMILESC=C/C=N/C.C=CC=CC
InChIInChI=1S/C5H8.C4H7N/c1-3-5-4-2;1-3-4-5-2/h3-5H,1H2,2H3;3-4H,1H2,2H3/b;5-4+
InChIKeySFLVWFCZANCNQW-RCKHEGBHSA-N
MW137.23 g/mol
LogP2.62
Rot. Bonds2

About N-methylprop-2-en-1-imine;penta-1,3-diene

N-methylprop-2-en-1-imine;penta-1,3-diene (PubChem CID 54302890) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-methylprop-2-en-1-imine;penta-1,3-diene.

Molecular Properties

Compound NameN-methylprop-2-en-1-imine;penta-1,3-diene
PubChem CID54302890
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-methylprop-2-en-1-imine;penta-1,3-diene
SMILESC=C/C=N/C.C=CC=CC
InChIInChI=1S/C5H8.C4H7N/c1-3-5-4-2;1-3-4-5-2/h3-5H,1H2,2H3;3-4H,1H2,2H3/b;5-4+
InChIKeySFLVWFCZANCNQW-RCKHEGBHSA-N
XLogP2.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methylprop-2-en-1-imine;penta-1,3-diene 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-methylprop-2-en-1-imine;penta-1,3-diene?
The IUPAC name of N-methylprop-2-en-1-imine;penta-1,3-diene (CID 54302890) is N-methylprop-2-en-1-imine;penta-1,3-diene.
What is the SMILES notation for N-methylprop-2-en-1-imine;penta-1,3-diene?
The canonical SMILES for N-methylprop-2-en-1-imine;penta-1,3-diene is C=C/C=N/C.C=CC=CC.
What is the InChIKey of N-methylprop-2-en-1-imine;penta-1,3-diene?
The InChIKey is SFLVWFCZANCNQW-RCKHEGBHSA-N. The full InChI is InChI=1S/C5H8.C4H7N/c1-3-5-4-2;1-3-4-5-2/h3-5H,1H2,2H3;3-4H,1H2,2H3/b;5-4+.
What are the key properties of N-methylprop-2-en-1-imine;penta-1,3-diene?
N-methylprop-2-en-1-imine;penta-1,3-diene has a molecular weight of 137.23 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylprop-2-en-1-imine;penta-1,3-diene is sourced from PubChem (CID 54302890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).