[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine

C10H11N3O — CID 135610508

IUPAC[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine
SMILES[H]/N=C/c1[nH]c(-c2ccc[nH]2)cc1OC
InChIInChI=1S/C10H11N3O/c1-14-10-5-8(13-9(10)6-11)7-3-2-4-12-7/h2-6,11-13H,1H3/b11-6+
InChIKeyTYAYSLOZEHMAII-IZZDOVSWSA-N
MW189.22 g/mol
LogP2.02
Rot. Bonds3

About [3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine

[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine (PubChem CID 135610508) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is [3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine.

Molecular Properties

Compound Name[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine
PubChem CID135610508
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine
SMILES[H]/N=C/c1[nH]c(-c2ccc[nH]2)cc1OC
InChIInChI=1S/C10H11N3O/c1-14-10-5-8(13-9(10)6-11)7-3-2-4-12-7/h2-6,11-13H,1H3/b11-6+
InChIKeyTYAYSLOZEHMAII-IZZDOVSWSA-N
XLogP2.02
TPSA64.66 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 52.02
H-Bond Donors ≤ 53
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 [3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine?
The IUPAC name of [3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine (CID 135610508) is [3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine.
What is the SMILES notation for [3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine?
The canonical SMILES for [3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine is [H]/N=C/c1[nH]c(-c2ccc[nH]2)cc1OC.
What is the InChIKey of [3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine?
The InChIKey is TYAYSLOZEHMAII-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H11N3O/c1-14-10-5-8(13-9(10)6-11)7-3-2-4-12-7/h2-6,11-13H,1H3/b11-6+.
What are the key properties of [3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine?
[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine has a molecular weight of 189.22 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine is sourced from PubChem (CID 135610508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).