Ethane;(3Z)-N-methyl-3-prop-2-enylidene-1H-pyrrol-2-imine;molecular hydrogen

C₁₂H₂₄N₂ — CID 145419566

About Ethane;(3Z)-N-methyl-3-prop-2-enylidene-1H-pyrrol-2-imine;molecular hydrogen

Ethane;(3Z)-N-methyl-3-prop-2-enylidene-1H-pyrrol-2-imine;molecular hydrogen (PubChem CID 145419566) has the molecular formula C₁₂H₂₄N₂ and a molecular weight of 196.34 g/mol. Its IUPAC name is ethane;(3Z)-N-methyl-3-prop-2-enylidene-1H-pyrrol-2-imine;molecular hydrogen.

Molecular Properties

• Compound Name: Ethane;(3Z)-N-methyl-3-prop-2-enylidene-1H-pyrrol-2-imine;molecular hydrogen
• PubChem CID: 145419566
• Molecular Formula: C₁₂H₂₄N₂
• Molecular Weight: 196.34 g/mol
• Exact Mass: 196.19
• IUPAC Name: ethane;(3Z)-N-methyl-3-prop-2-enylidene-1H-pyrrol-2-imine;molecular hydrogen
• SMILES: C=C/C=C1/C=CN/C1=N\C.CC.CC.[H][H]
• InChI: InChI=1S/C8H10N2.2C2H6.H2/c1-3-4-7-5-6-10-8(7)9-2;2*1-2;/h3-6H,1H2,2H3,(H,9,10);2*1-2H3;1H/b7-4-
• InChIKey: ZRRWLWVYPMZREU-LSQFMHCWSA-N
• XLogP: 3.54
• TPSA: 24.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	196.34
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ethane;(3Z)-N-methyl-3-prop-2-enylidene-1H-pyrrol-2-imine;molecular hydrogen?

The IUPAC name of Ethane;(3Z)-N-methyl-3-prop-2-enylidene-1H-pyrrol-2-imine;molecular hydrogen (CID 145419566) is ethane;(3Z)-N-methyl-3-prop-2-enylidene-1H-pyrrol-2-imine;molecular hydrogen.

What is the SMILES notation for Ethane;(3Z)-N-methyl-3-prop-2-enylidene-1H-pyrrol-2-imine;molecular hydrogen?

The canonical SMILES for Ethane;(3Z)-N-methyl-3-prop-2-enylidene-1H-pyrrol-2-imine;molecular hydrogen is C=C/C=C1/C=CN/C1=N\C.CC.CC.[H][H].

What is the InChIKey of Ethane;(3Z)-N-methyl-3-prop-2-enylidene-1H-pyrrol-2-imine;molecular hydrogen?

The InChIKey is ZRRWLWVYPMZREU-LSQFMHCWSA-N. The full InChI is InChI=1S/C8H10N2.2C2H6.H2/c1-3-4-7-5-6-10-8(7)9-2;2*1-2;/h3-6H,1H2,2H3,(H,9,10);2*1-2H3;1H/b7-4-;;;.

What are the key properties of Ethane;(3Z)-N-methyl-3-prop-2-enylidene-1H-pyrrol-2-imine;molecular hydrogen?

Ethane;(3Z)-N-methyl-3-prop-2-enylidene-1H-pyrrol-2-imine;molecular hydrogen has a molecular weight of 196.34 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;(3Z)-N-methyl-3-prop-2-enylidene-1H-pyrrol-2-imine;molecular hydrogen is sourced from PubChem (CID 145419566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 145419566 — identifiers, structure, computed properties (public domain)

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