(Z)-2-[[(4Z)-4-[(Z)-3-aminoprop-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methyl]-3-iminoprop-1-en-1-amine

C12H16N4 — CID 89270681

IUPAC(Z)-2-[[(4Z)-4-[(Z)-3-aminoprop-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methyl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)Cc1c[nH]c(=C)/c1=C\C=C/N
InChIInChI=1S/C12H16N4/c1-9-12(3-2-4-13)11(8-16-9)5-10(6-14)7-15/h2-4,6-8,14,16H,1,5,13,15H2/b4-2-,10-7-,12-3+,14-6+
InChIKeyOHQYVJIBJDZOAG-AVMSRRAHSA-N
MW216.29 g/mol
LogP-0.29
Rot. Bonds4

About (Z)-2-[[(4Z)-4-[(Z)-3-aminoprop-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methyl]-3-iminoprop-1-en-1-amine

(Z)-2-[[(4Z)-4-[(Z)-3-aminoprop-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methyl]-3-iminoprop-1-en-1-amine (PubChem CID 89270681) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is (Z)-2-[[(4Z)-4-[(Z)-3-aminoprop-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methyl]-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[[(4Z)-4-[(Z)-3-aminoprop-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methyl]-3-iminoprop-1-en-1-amine
PubChem CID89270681
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name(Z)-2-[[(4Z)-4-[(Z)-3-aminoprop-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methyl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)Cc1c[nH]c(=C)/c1=C\C=C/N
InChIInChI=1S/C12H16N4/c1-9-12(3-2-4-13)11(8-16-9)5-10(6-14)7-15/h2-4,6-8,14,16H,1,5,13,15H2/b4-2-,10-7-,12-3+,14-6+
InChIKeyOHQYVJIBJDZOAG-AVMSRRAHSA-N
XLogP-0.29
TPSA91.68 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
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)-2-[[(4Z)-4-[(Z)-3-aminoprop-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methyl]-3-iminoprop-1-en-1-amine?
The IUPAC name of (Z)-2-[[(4Z)-4-[(Z)-3-aminoprop-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methyl]-3-iminoprop-1-en-1-amine (CID 89270681) is (Z)-2-[[(4Z)-4-[(Z)-3-aminoprop-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methyl]-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-[[(4Z)-4-[(Z)-3-aminoprop-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methyl]-3-iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-2-[[(4Z)-4-[(Z)-3-aminoprop-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methyl]-3-iminoprop-1-en-1-amine is [H]/N=C/C(=C\N)Cc1c[nH]c(=C)/c1=C\C=C/N.
What is the InChIKey of (Z)-2-[[(4Z)-4-[(Z)-3-aminoprop-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methyl]-3-iminoprop-1-en-1-amine?
The InChIKey is OHQYVJIBJDZOAG-AVMSRRAHSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-12(3-2-4-13)11(8-16-9)5-10(6-14)7-15/h2-4,6-8,14,16H,1,5,13,15H2/b4-2-,10-7-,12-3+,14-6+.
What are the key properties of (Z)-2-[[(4Z)-4-[(Z)-3-aminoprop-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methyl]-3-iminoprop-1-en-1-amine?
(Z)-2-[[(4Z)-4-[(Z)-3-aminoprop-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methyl]-3-iminoprop-1-en-1-amine has a molecular weight of 216.29 g/mol, XLogP of -0.29, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[(4Z)-4-[(Z)-3-aminoprop-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methyl]-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 89270681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).