[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine

C9H14N2 — CID 89046829

IUPAC[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine
SMILES[H]/N=C/C1=C(/C=C\C)CN(C)C1
InChIInChI=1S/C9H14N2/c1-3-4-8-6-11(2)7-9(8)5-10/h3-5,10H,6-7H2,1-2H3/b4-3-,10-5+
InChIKeyBPACOGFPIASFDS-DXWLQBKVSA-N
MW150.22 g/mol
LogP1.45
Rot. Bonds2

About [1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine

[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine (PubChem CID 89046829) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is [1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine.

Molecular Properties

Compound Name[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine
PubChem CID89046829
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine
SMILES[H]/N=C/C1=C(/C=C\C)CN(C)C1
InChIInChI=1S/C9H14N2/c1-3-4-8-6-11(2)7-9(8)5-10/h3-5,10H,6-7H2,1-2H3/b4-3-,10-5+
InChIKeyBPACOGFPIASFDS-DXWLQBKVSA-N
XLogP1.45
TPSA27.09 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 ≤ 51.45
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 [1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine?
The IUPAC name of [1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine (CID 89046829) is [1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine.
What is the SMILES notation for [1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine?
The canonical SMILES for [1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine is [H]/N=C/C1=C(/C=C\C)CN(C)C1.
What is the InChIKey of [1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine?
The InChIKey is BPACOGFPIASFDS-DXWLQBKVSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-4-8-6-11(2)7-9(8)5-10/h3-5,10H,6-7H2,1-2H3/b4-3-,10-5+.
What are the key properties of [1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine?
[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine has a molecular weight of 150.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine is sourced from PubChem (CID 89046829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).