(Z)-4-(2,5-dihydro-1H-pyrrol-2-yl)but-2-en-1-imine;ethane

C10H18N2 — CID 144963893

IUPAC(Z)-4-(2,5-dihydro-1H-pyrrol-2-yl)but-2-en-1-imine;ethane
SMILESCC.[H]/N=C/C=C\CC1C=CCN1
InChIInChI=1S/C8H12N2.C2H6/c9-6-2-1-4-8-5-3-7-10-8;1-2/h1-3,5-6,8-10H,4,7H2;1-2H3/b2-1-,9-6+;
InChIKeyXLGHWWVGPYMZOK-SMYMJCLPSA-N
MW166.27 g/mol
LogP2.14
Rot. Bonds3

About (Z)-4-(2,5-dihydro-1H-pyrrol-2-yl)but-2-en-1-imine;ethane

(Z)-4-(2,5-dihydro-1H-pyrrol-2-yl)but-2-en-1-imine;ethane (PubChem CID 144963893) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (Z)-4-(2,5-dihydro-1H-pyrrol-2-yl)but-2-en-1-imine;ethane.

Molecular Properties

Compound Name(Z)-4-(2,5-dihydro-1H-pyrrol-2-yl)but-2-en-1-imine;ethane
PubChem CID144963893
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(Z)-4-(2,5-dihydro-1H-pyrrol-2-yl)but-2-en-1-imine;ethane
SMILESCC.[H]/N=C/C=C\CC1C=CCN1
InChIInChI=1S/C8H12N2.C2H6/c9-6-2-1-4-8-5-3-7-10-8;1-2/h1-3,5-6,8-10H,4,7H2;1-2H3/b2-1-,9-6+;
InChIKeyXLGHWWVGPYMZOK-SMYMJCLPSA-N
XLogP2.14
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2,5-dihydro-1H-pyrrol-2-yl)but-2-en-1-imine;ethane?
The IUPAC name of (Z)-4-(2,5-dihydro-1H-pyrrol-2-yl)but-2-en-1-imine;ethane (CID 144963893) is (Z)-4-(2,5-dihydro-1H-pyrrol-2-yl)but-2-en-1-imine;ethane.
What is the SMILES notation for (Z)-4-(2,5-dihydro-1H-pyrrol-2-yl)but-2-en-1-imine;ethane?
The canonical SMILES for (Z)-4-(2,5-dihydro-1H-pyrrol-2-yl)but-2-en-1-imine;ethane is CC.[H]/N=C/C=C\CC1C=CCN1.
What is the InChIKey of (Z)-4-(2,5-dihydro-1H-pyrrol-2-yl)but-2-en-1-imine;ethane?
The InChIKey is XLGHWWVGPYMZOK-SMYMJCLPSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c9-6-2-1-4-8-5-3-7-10-8;1-2/h1-3,5-6,8-10H,4,7H2;1-2H3/b2-1-,9-6+;.
What are the key properties of (Z)-4-(2,5-dihydro-1H-pyrrol-2-yl)but-2-en-1-imine;ethane?
(Z)-4-(2,5-dihydro-1H-pyrrol-2-yl)but-2-en-1-imine;ethane has a molecular weight of 166.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2,5-dihydro-1H-pyrrol-2-yl)but-2-en-1-imine;ethane is sourced from PubChem (CID 144963893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).