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

C12H15N3O — CID 135475511

IUPACN-ethyl-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine
SMILESCC/N=C/c1[nH]c(-c2ccc[nH]2)cc1OC
InChIInChI=1S/C12H15N3O/c1-3-13-8-11-12(16-2)7-10(15-11)9-5-4-6-14-9/h4-8,14-15H,3H2,1-2H3/b13-8+
InChIKeyWUQYWAZRDRWKFZ-MDWZMJQESA-N
MW217.27 g/mol
LogP2.46
Rot. Bonds4

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

N-ethyl-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine (PubChem CID 135475511) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-ethyl-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine.

Molecular Properties

Compound NameN-ethyl-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine
PubChem CID135475511
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-ethyl-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine
SMILESCC/N=C/c1[nH]c(-c2ccc[nH]2)cc1OC
InChIInChI=1S/C12H15N3O/c1-3-13-8-11-12(16-2)7-10(15-11)9-5-4-6-14-9/h4-8,14-15H,3H2,1-2H3/b13-8+
InChIKeyWUQYWAZRDRWKFZ-MDWZMJQESA-N
XLogP2.46
TPSA53.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.46
H-Bond Donors ≤ 52
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-ethyl-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine?
The IUPAC name of N-ethyl-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine (CID 135475511) is N-ethyl-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine.
What is the SMILES notation for N-ethyl-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine?
The canonical SMILES for N-ethyl-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine is CC/N=C/c1[nH]c(-c2ccc[nH]2)cc1OC.
What is the InChIKey of N-ethyl-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine?
The InChIKey is WUQYWAZRDRWKFZ-MDWZMJQESA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-13-8-11-12(16-2)7-10(15-11)9-5-4-6-14-9/h4-8,14-15H,3H2,1-2H3/b13-8+.
What are the key properties of N-ethyl-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine?
N-ethyl-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine has a molecular weight of 217.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine is sourced from PubChem (CID 135475511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).