(Z)-(4-ethenylimino-1-methylpyrrolidin-3-ylidene)methanamine

C8H13N3 — CID 90253958

IUPAC(Z)-(4-ethenylimino-1-methylpyrrolidin-3-ylidene)methanamine
SMILESC=C/N=C1\CN(C)C\C1=C\N
InChIInChI=1S/C8H13N3/c1-3-10-8-6-11(2)5-7(8)4-9/h3-4H,1,5-6,9H2,2H3/b7-4-,10-8+
InChIKeyWVZBSQRRLWTBPC-WIXOJMCHSA-N
MW151.21 g/mol
LogP0.36
Rot. Bonds1

About (Z)-(4-ethenylimino-1-methylpyrrolidin-3-ylidene)methanamine

(Z)-(4-ethenylimino-1-methylpyrrolidin-3-ylidene)methanamine (PubChem CID 90253958) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (Z)-(4-ethenylimino-1-methylpyrrolidin-3-ylidene)methanamine.

Molecular Properties

Compound Name(Z)-(4-ethenylimino-1-methylpyrrolidin-3-ylidene)methanamine
PubChem CID90253958
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(Z)-(4-ethenylimino-1-methylpyrrolidin-3-ylidene)methanamine
SMILESC=C/N=C1\CN(C)C\C1=C\N
InChIInChI=1S/C8H13N3/c1-3-10-8-6-11(2)5-7(8)4-9/h3-4H,1,5-6,9H2,2H3/b7-4-,10-8+
InChIKeyWVZBSQRRLWTBPC-WIXOJMCHSA-N
XLogP0.36
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.36
H-Bond Donors ≤ 51
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 (Z)-(4-ethenylimino-1-methylpyrrolidin-3-ylidene)methanamine?
The IUPAC name of (Z)-(4-ethenylimino-1-methylpyrrolidin-3-ylidene)methanamine (CID 90253958) is (Z)-(4-ethenylimino-1-methylpyrrolidin-3-ylidene)methanamine.
What is the SMILES notation for (Z)-(4-ethenylimino-1-methylpyrrolidin-3-ylidene)methanamine?
The canonical SMILES for (Z)-(4-ethenylimino-1-methylpyrrolidin-3-ylidene)methanamine is C=C/N=C1\CN(C)C\C1=C\N.
What is the InChIKey of (Z)-(4-ethenylimino-1-methylpyrrolidin-3-ylidene)methanamine?
The InChIKey is WVZBSQRRLWTBPC-WIXOJMCHSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-10-8-6-11(2)5-7(8)4-9/h3-4H,1,5-6,9H2,2H3/b7-4-,10-8+.
What are the key properties of (Z)-(4-ethenylimino-1-methylpyrrolidin-3-ylidene)methanamine?
(Z)-(4-ethenylimino-1-methylpyrrolidin-3-ylidene)methanamine has a molecular weight of 151.21 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(4-ethenylimino-1-methylpyrrolidin-3-ylidene)methanamine is sourced from PubChem (CID 90253958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).