(Z)-(4-iminopyrrolidin-3-ylidene)methanamine

C5H9N3 — CID 153289373

IUPAC(Z)-(4-iminopyrrolidin-3-ylidene)methanamine
SMILES[H]/N=C1\CNC\C1=C\N
InChIInChI=1S/C5H9N3/c6-1-4-2-8-3-5(4)7/h1,7-8H,2-3,6H2/b4-1-,7-5+
InChIKeyJORQETWRGSGLCA-RBOHYVNRSA-N
MW111.15 g/mol
LogP-0.55
Rot. Bonds

About (Z)-(4-iminopyrrolidin-3-ylidene)methanamine

(Z)-(4-iminopyrrolidin-3-ylidene)methanamine (PubChem CID 153289373) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is (Z)-(4-iminopyrrolidin-3-ylidene)methanamine.

Molecular Properties

Compound Name(Z)-(4-iminopyrrolidin-3-ylidene)methanamine
PubChem CID153289373
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name(Z)-(4-iminopyrrolidin-3-ylidene)methanamine
SMILES[H]/N=C1\CNC\C1=C\N
InChIInChI=1S/C5H9N3/c6-1-4-2-8-3-5(4)7/h1,7-8H,2-3,6H2/b4-1-,7-5+
InChIKeyJORQETWRGSGLCA-RBOHYVNRSA-N
XLogP-0.55
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
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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Related Compounds

(Z)-(4-ethenylimino-1-methylpyrrolidin-3-ylidene)methanamine
CID 90253958
N-ethenyl-4-methylidenepyrrolidin-3-imine
CID 130347355
(Z)-(4-methyliminopyrrolidin-3-ylidene)methanamine
CID 135275464
(4Z)-4-ethylidenepyrrolidin-3-imine
CID 144662416
ethene;N-methyl-4-methylidenepyrrolidin-3-imine
CID 145048032
(4-Methyliminopyrrolidin-3-ylidene)methanamine
CID 157354863
[(4Z)-4-(aminomethylidene)-1-phosphanylpyrrolidin-3-ylidene]azanide
CID 163982597
(4-Iminopyrrolidin-3-ylidene)methanamine
CID 173773350
4-Methylidenepyrrolidin-3-imine
CID 173910437
N-[(Z)-pyrrolidin-3-ylidenemethyl]propan-2-imine
CID 174285161
(4E)-4-ethylidenepyrrolidin-3-imine
CID 177149075
ethane;(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine
CID 177178371

Frequently Asked Questions

What is the IUPAC name of (Z)-(4-iminopyrrolidin-3-ylidene)methanamine?
The IUPAC name of (Z)-(4-iminopyrrolidin-3-ylidene)methanamine (CID 153289373) is (Z)-(4-iminopyrrolidin-3-ylidene)methanamine.
What is the SMILES notation for (Z)-(4-iminopyrrolidin-3-ylidene)methanamine?
The canonical SMILES for (Z)-(4-iminopyrrolidin-3-ylidene)methanamine is [H]/N=C1\CNC\C1=C\N.
What is the InChIKey of (Z)-(4-iminopyrrolidin-3-ylidene)methanamine?
The InChIKey is JORQETWRGSGLCA-RBOHYVNRSA-N. The full InChI is InChI=1S/C5H9N3/c6-1-4-2-8-3-5(4)7/h1,7-8H,2-3,6H2/b4-1-,7-5+.
What are the key properties of (Z)-(4-iminopyrrolidin-3-ylidene)methanamine?
(Z)-(4-iminopyrrolidin-3-ylidene)methanamine has a molecular weight of 111.15 g/mol, XLogP of -0.55, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(4-iminopyrrolidin-3-ylidene)methanamine is sourced from PubChem (CID 153289373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).