(5E)-5-(aminomethylidene)-3,4-dihydropyrrol-2-amine

C5H9N3 — CID 67271092

IUPAC(5E)-5-(aminomethylidene)-3,4-dihydropyrrol-2-amine
SMILESN/C=C1\CCC(N)=N1
InChIInChI=1S/C5H9N3/c6-3-4-1-2-5(7)8-4/h3H,1-2,6H2,(H2,7,8)/b4-3+
InChIKeyOLAXGXSXHZEQFM-ONEGZZNKSA-N
MW111.15 g/mol
LogP-0.06
Rot. Bonds

About (5E)-5-(aminomethylidene)-3,4-dihydropyrrol-2-amine

(5E)-5-(aminomethylidene)-3,4-dihydropyrrol-2-amine (PubChem CID 67271092) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is (5E)-5-(aminomethylidene)-3,4-dihydropyrrol-2-amine.

Molecular Properties

Compound Name(5E)-5-(aminomethylidene)-3,4-dihydropyrrol-2-amine
PubChem CID67271092
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name(5E)-5-(aminomethylidene)-3,4-dihydropyrrol-2-amine
SMILESN/C=C1\CCC(N)=N1
InChIInChI=1S/C5H9N3/c6-3-4-1-2-5(7)8-4/h3H,1-2,6H2,(H2,7,8)/b4-3+
InChIKeyOLAXGXSXHZEQFM-ONEGZZNKSA-N
XLogP-0.06
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(aminomethylidene)-3,4-dihydropyrrol-2-amine?
The IUPAC name of (5E)-5-(aminomethylidene)-3,4-dihydropyrrol-2-amine (CID 67271092) is (5E)-5-(aminomethylidene)-3,4-dihydropyrrol-2-amine.
What is the SMILES notation for (5E)-5-(aminomethylidene)-3,4-dihydropyrrol-2-amine?
The canonical SMILES for (5E)-5-(aminomethylidene)-3,4-dihydropyrrol-2-amine is N/C=C1\CCC(N)=N1.
What is the InChIKey of (5E)-5-(aminomethylidene)-3,4-dihydropyrrol-2-amine?
The InChIKey is OLAXGXSXHZEQFM-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H9N3/c6-3-4-1-2-5(7)8-4/h3H,1-2,6H2,(H2,7,8)/b4-3+.
What are the key properties of (5E)-5-(aminomethylidene)-3,4-dihydropyrrol-2-amine?
(5E)-5-(aminomethylidene)-3,4-dihydropyrrol-2-amine has a molecular weight of 111.15 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(aminomethylidene)-3,4-dihydropyrrol-2-amine is sourced from PubChem (CID 67271092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).