4-methanimidoyl-2,5-dihydro-1H-pyrrol-3-amine

C5H9N3 — CID 135275565

IUPAC4-methanimidoyl-2,5-dihydro-1H-pyrrol-3-amine
SMILES[H]/N=C/C1=C(N)CNC1
InChIInChI=1S/C5H9N3/c6-1-4-2-8-3-5(4)7/h1,6,8H,2-3,7H2/b6-1+
InChIKeyNDHMNZMCPVRWCJ-LZCJLJQNSA-N
MW111.15 g/mol
LogP-0.55
Rot. Bonds1

About 4-methanimidoyl-2,5-dihydro-1H-pyrrol-3-amine

4-methanimidoyl-2,5-dihydro-1H-pyrrol-3-amine (PubChem CID 135275565) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 4-methanimidoyl-2,5-dihydro-1H-pyrrol-3-amine.

Molecular Properties

Compound Name4-methanimidoyl-2,5-dihydro-1H-pyrrol-3-amine
PubChem CID135275565
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name4-methanimidoyl-2,5-dihydro-1H-pyrrol-3-amine
SMILES[H]/N=C/C1=C(N)CNC1
InChIInChI=1S/C5H9N3/c6-1-4-2-8-3-5(4)7/h1,6,8H,2-3,7H2/b6-1+
InChIKeyNDHMNZMCPVRWCJ-LZCJLJQNSA-N
XLogP-0.55
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 4-methanimidoyl-2,5-dihydro-1H-pyrrol-3-amine?
The IUPAC name of 4-methanimidoyl-2,5-dihydro-1H-pyrrol-3-amine (CID 135275565) is 4-methanimidoyl-2,5-dihydro-1H-pyrrol-3-amine.
What is the SMILES notation for 4-methanimidoyl-2,5-dihydro-1H-pyrrol-3-amine?
The canonical SMILES for 4-methanimidoyl-2,5-dihydro-1H-pyrrol-3-amine is [H]/N=C/C1=C(N)CNC1.
What is the InChIKey of 4-methanimidoyl-2,5-dihydro-1H-pyrrol-3-amine?
The InChIKey is NDHMNZMCPVRWCJ-LZCJLJQNSA-N. The full InChI is InChI=1S/C5H9N3/c6-1-4-2-8-3-5(4)7/h1,6,8H,2-3,7H2/b6-1+.
What are the key properties of 4-methanimidoyl-2,5-dihydro-1H-pyrrol-3-amine?
4-methanimidoyl-2,5-dihydro-1H-pyrrol-3-amine has a molecular weight of 111.15 g/mol, XLogP of -0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanimidoyl-2,5-dihydro-1H-pyrrol-3-amine is sourced from PubChem (CID 135275565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).