(1Z)-1-(4-iminopyrrolidin-3-ylidene)ethanamine

C6H11N3 — CID 144755915

IUPAC(1Z)-1-(4-iminopyrrolidin-3-ylidene)ethanamine
SMILES[H]/N=C1\CNC\C1=C(/C)N
InChIInChI=1S/C6H11N3/c1-4(7)5-2-9-3-6(5)8/h8-9H,2-3,7H2,1H3/b5-4-,8-6+
InChIKeyIZXLZDTYEJQQFD-GSGSLZOQSA-N
MW125.17 g/mol
LogP-0.16
Rot. Bonds

About (1Z)-1-(4-iminopyrrolidin-3-ylidene)ethanamine

(1Z)-1-(4-iminopyrrolidin-3-ylidene)ethanamine (PubChem CID 144755915) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (1Z)-1-(4-iminopyrrolidin-3-ylidene)ethanamine.

Molecular Properties

Compound Name(1Z)-1-(4-iminopyrrolidin-3-ylidene)ethanamine
PubChem CID144755915
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(1Z)-1-(4-iminopyrrolidin-3-ylidene)ethanamine
SMILES[H]/N=C1\CNC\C1=C(/C)N
InChIInChI=1S/C6H11N3/c1-4(7)5-2-9-3-6(5)8/h8-9H,2-3,7H2,1H3/b5-4-,8-6+
InChIKeyIZXLZDTYEJQQFD-GSGSLZOQSA-N
XLogP-0.16
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.16
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 (1Z)-1-(4-iminopyrrolidin-3-ylidene)ethanamine?
The IUPAC name of (1Z)-1-(4-iminopyrrolidin-3-ylidene)ethanamine (CID 144755915) is (1Z)-1-(4-iminopyrrolidin-3-ylidene)ethanamine.
What is the SMILES notation for (1Z)-1-(4-iminopyrrolidin-3-ylidene)ethanamine?
The canonical SMILES for (1Z)-1-(4-iminopyrrolidin-3-ylidene)ethanamine is [H]/N=C1\CNC\C1=C(/C)N.
What is the InChIKey of (1Z)-1-(4-iminopyrrolidin-3-ylidene)ethanamine?
The InChIKey is IZXLZDTYEJQQFD-GSGSLZOQSA-N. The full InChI is InChI=1S/C6H11N3/c1-4(7)5-2-9-3-6(5)8/h8-9H,2-3,7H2,1H3/b5-4-,8-6+.
What are the key properties of (1Z)-1-(4-iminopyrrolidin-3-ylidene)ethanamine?
(1Z)-1-(4-iminopyrrolidin-3-ylidene)ethanamine has a molecular weight of 125.17 g/mol, XLogP of -0.16, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(4-iminopyrrolidin-3-ylidene)ethanamine is sourced from PubChem (CID 144755915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).