N-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)but-2-en-1-imine

C9H14N2 — CID 70311985

IUPACN-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)but-2-en-1-imine
SMILESCC=C/C=N/C1=C(C)CNC1
InChIInChI=1S/C9H14N2/c1-3-4-5-11-9-7-10-6-8(9)2/h3-5,10H,6-7H2,1-2H3/b4-3?,11-5+
InChIKeyNGVIIQGHRXTXNC-PLKYTOJASA-N
MW150.22 g/mol
LogP1.51
Rot. Bonds2

About N-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)but-2-en-1-imine

N-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)but-2-en-1-imine (PubChem CID 70311985) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)but-2-en-1-imine.

Molecular Properties

Compound NameN-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)but-2-en-1-imine
PubChem CID70311985
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)but-2-en-1-imine
SMILESCC=C/C=N/C1=C(C)CNC1
InChIInChI=1S/C9H14N2/c1-3-4-5-11-9-7-10-6-8(9)2/h3-5,10H,6-7H2,1-2H3/b4-3?,11-5+
InChIKeyNGVIIQGHRXTXNC-PLKYTOJASA-N
XLogP1.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)but-2-en-1-imine?
The IUPAC name of N-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)but-2-en-1-imine (CID 70311985) is N-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)but-2-en-1-imine.
What is the SMILES notation for N-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)but-2-en-1-imine?
The canonical SMILES for N-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)but-2-en-1-imine is CC=C/C=N/C1=C(C)CNC1.
What is the InChIKey of N-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)but-2-en-1-imine?
The InChIKey is NGVIIQGHRXTXNC-PLKYTOJASA-N. The full InChI is InChI=1S/C9H14N2/c1-3-4-5-11-9-7-10-6-8(9)2/h3-5,10H,6-7H2,1-2H3/b4-3?,11-5+.
What are the key properties of N-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)but-2-en-1-imine?
N-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)but-2-en-1-imine has a molecular weight of 150.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)but-2-en-1-imine is sourced from PubChem (CID 70311985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).