(E)-N-ethoxypyrrolo[1,2-a]indol-4-imine

C13H12N2O — CID 89064506

IUPAC(E)-N-ethoxypyrrolo[1,2-a]indol-4-imine
SMILESCCO/N=C1\c2ccccc2-n2cccc21
InChIInChI=1S/C13H12N2O/c1-2-16-14-13-10-6-3-4-7-11(10)15-9-5-8-12(13)15/h3-9H,2H2,1H3/b14-13+
InChIKeyDNLVAWRVKZCIQW-BUHFOSPRSA-N
MW212.25 g/mol
LogP2.58
Rot. Bonds2

About (E)-N-ethoxypyrrolo[1,2-a]indol-4-imine

(E)-N-ethoxypyrrolo[1,2-a]indol-4-imine (PubChem CID 89064506) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is (E)-N-ethoxypyrrolo[1,2-a]indol-4-imine.

Molecular Properties

Compound Name(E)-N-ethoxypyrrolo[1,2-a]indol-4-imine
PubChem CID89064506
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name(E)-N-ethoxypyrrolo[1,2-a]indol-4-imine
SMILESCCO/N=C1\c2ccccc2-n2cccc21
InChIInChI=1S/C13H12N2O/c1-2-16-14-13-10-6-3-4-7-11(10)15-9-5-8-12(13)15/h3-9H,2H2,1H3/b14-13+
InChIKeyDNLVAWRVKZCIQW-BUHFOSPRSA-N
XLogP2.58
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethoxypyrrolo[1,2-a]indol-4-imine?
The IUPAC name of (E)-N-ethoxypyrrolo[1,2-a]indol-4-imine (CID 89064506) is (E)-N-ethoxypyrrolo[1,2-a]indol-4-imine.
What is the SMILES notation for (E)-N-ethoxypyrrolo[1,2-a]indol-4-imine?
The canonical SMILES for (E)-N-ethoxypyrrolo[1,2-a]indol-4-imine is CCO/N=C1\c2ccccc2-n2cccc21.
What is the InChIKey of (E)-N-ethoxypyrrolo[1,2-a]indol-4-imine?
The InChIKey is DNLVAWRVKZCIQW-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H12N2O/c1-2-16-14-13-10-6-3-4-7-11(10)15-9-5-8-12(13)15/h3-9H,2H2,1H3/b14-13+.
What are the key properties of (E)-N-ethoxypyrrolo[1,2-a]indol-4-imine?
(E)-N-ethoxypyrrolo[1,2-a]indol-4-imine has a molecular weight of 212.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethoxypyrrolo[1,2-a]indol-4-imine is sourced from PubChem (CID 89064506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).