2-ethyliminocyclohepta[b]pyrrol-1-amine

C11H13N3 — CID 5251908

IUPAC2-ethyliminocyclohepta[b]pyrrol-1-amine
SMILESCC/N=c1\cc2cccccc-2n1N
InChIInChI=1S/C11H13N3/c1-2-13-11-8-9-6-4-3-5-7-10(9)14(11)12/h3-8H,2,12H2,1H3/b13-11+
InChIKeyHIOXMHASHHFBGO-ACCUITESSA-N
MW187.25 g/mol
LogP1.23
Rot. Bonds1

About 2-ethyliminocyclohepta[b]pyrrol-1-amine

2-ethyliminocyclohepta[b]pyrrol-1-amine (PubChem CID 5251908) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-ethyliminocyclohepta[b]pyrrol-1-amine.

Molecular Properties

Compound Name2-ethyliminocyclohepta[b]pyrrol-1-amine
PubChem CID5251908
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-ethyliminocyclohepta[b]pyrrol-1-amine
SMILESCC/N=c1\cc2cccccc-2n1N
InChIInChI=1S/C11H13N3/c1-2-13-11-8-9-6-4-3-5-7-10(9)14(11)12/h3-8H,2,12H2,1H3/b13-11+
InChIKeyHIOXMHASHHFBGO-ACCUITESSA-N
XLogP1.23
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyliminocyclohepta[b]pyrrol-1-amine?
The IUPAC name of 2-ethyliminocyclohepta[b]pyrrol-1-amine (CID 5251908) is 2-ethyliminocyclohepta[b]pyrrol-1-amine.
What is the SMILES notation for 2-ethyliminocyclohepta[b]pyrrol-1-amine?
The canonical SMILES for 2-ethyliminocyclohepta[b]pyrrol-1-amine is CC/N=c1\cc2cccccc-2n1N.
What is the InChIKey of 2-ethyliminocyclohepta[b]pyrrol-1-amine?
The InChIKey is HIOXMHASHHFBGO-ACCUITESSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-13-11-8-9-6-4-3-5-7-10(9)14(11)12/h3-8H,2,12H2,1H3/b13-11+.
What are the key properties of 2-ethyliminocyclohepta[b]pyrrol-1-amine?
2-ethyliminocyclohepta[b]pyrrol-1-amine has a molecular weight of 187.25 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyliminocyclohepta[b]pyrrol-1-amine is sourced from PubChem (CID 5251908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).