(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine

C9H13N3 — CID 89289290

IUPAC(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
SMILESC=CNC1=NC=C(CN)/C1=C/C
InChIInChI=1S/C9H13N3/c1-3-8-7(5-10)6-12-9(8)11-4-2/h3-4,6H,2,5,10H2,1H3,(H,11,12)/b8-3-
InChIKeyRZNCASOEKZLLOC-BAQGIRSFSA-N
MW163.22 g/mol
LogP0.92
Rot. Bonds2

About (3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine

(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine (PubChem CID 89289290) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine.

Molecular Properties

Compound Name(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
PubChem CID89289290
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
SMILESC=CNC1=NC=C(CN)/C1=C/C
InChIInChI=1S/C9H13N3/c1-3-8-7(5-10)6-12-9(8)11-4-2/h3-4,6H,2,5,10H2,1H3,(H,11,12)/b8-3-
InChIKeyRZNCASOEKZLLOC-BAQGIRSFSA-N
XLogP0.92
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine?
The IUPAC name of (3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine (CID 89289290) is (3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine.
What is the SMILES notation for (3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine?
The canonical SMILES for (3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine is C=CNC1=NC=C(CN)/C1=C/C.
What is the InChIKey of (3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine?
The InChIKey is RZNCASOEKZLLOC-BAQGIRSFSA-N. The full InChI is InChI=1S/C9H13N3/c1-3-8-7(5-10)6-12-9(8)11-4-2/h3-4,6H,2,5,10H2,1H3,(H,11,12)/b8-3-.
What are the key properties of (3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine?
(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine has a molecular weight of 163.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine is sourced from PubChem (CID 89289290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).