N-methyl-3-(2-methylidene-1H-pyrrol-3-ylidene)propan-1-imine

C9H12N2 — CID 123150234

IUPACN-methyl-3-(2-methylidene-1H-pyrrol-3-ylidene)propan-1-imine
SMILESC=c1[nH]ccc1=CC/C=N/C
InChIInChI=1S/C9H12N2/c1-8-9(5-7-11-8)4-3-6-10-2/h4-7,11H,1,3H2,2H3/b9-4?,10-6+
InChIKeyUHIYKKHEPSWTQU-CWLNOYFLSA-N
MW148.21 g/mol
LogP0.30
Rot. Bonds2

About N-methyl-3-(2-methylidene-1H-pyrrol-3-ylidene)propan-1-imine

N-methyl-3-(2-methylidene-1H-pyrrol-3-ylidene)propan-1-imine (PubChem CID 123150234) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-methyl-3-(2-methylidene-1H-pyrrol-3-ylidene)propan-1-imine.

Molecular Properties

Compound NameN-methyl-3-(2-methylidene-1H-pyrrol-3-ylidene)propan-1-imine
PubChem CID123150234
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-methyl-3-(2-methylidene-1H-pyrrol-3-ylidene)propan-1-imine
SMILESC=c1[nH]ccc1=CC/C=N/C
InChIInChI=1S/C9H12N2/c1-8-9(5-7-11-8)4-3-6-10-2/h4-7,11H,1,3H2,2H3/b9-4?,10-6+
InChIKeyUHIYKKHEPSWTQU-CWLNOYFLSA-N
XLogP0.30
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methyl-3-(2-methylidene-1H-pyrrol-3-ylidene)propan-1-imine?
The IUPAC name of N-methyl-3-(2-methylidene-1H-pyrrol-3-ylidene)propan-1-imine (CID 123150234) is N-methyl-3-(2-methylidene-1H-pyrrol-3-ylidene)propan-1-imine.
What is the SMILES notation for N-methyl-3-(2-methylidene-1H-pyrrol-3-ylidene)propan-1-imine?
The canonical SMILES for N-methyl-3-(2-methylidene-1H-pyrrol-3-ylidene)propan-1-imine is C=c1[nH]ccc1=CC/C=N/C.
What is the InChIKey of N-methyl-3-(2-methylidene-1H-pyrrol-3-ylidene)propan-1-imine?
The InChIKey is UHIYKKHEPSWTQU-CWLNOYFLSA-N. The full InChI is InChI=1S/C9H12N2/c1-8-9(5-7-11-8)4-3-6-10-2/h4-7,11H,1,3H2,2H3/b9-4?,10-6+.
What are the key properties of N-methyl-3-(2-methylidene-1H-pyrrol-3-ylidene)propan-1-imine?
N-methyl-3-(2-methylidene-1H-pyrrol-3-ylidene)propan-1-imine has a molecular weight of 148.21 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylidene-1H-pyrrol-3-ylidene)propan-1-imine is sourced from PubChem (CID 123150234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).