(2Z)-2-[(Z)-but-2-enylidene]-3-[(Z)-3-iminoprop-1-enyl]-4-methylcyclopent-3-en-1-imine

C13H16N2 — CID 90128358

IUPAC(2Z)-2-[(Z)-but-2-enylidene]-3-[(Z)-3-iminoprop-1-enyl]-4-methylcyclopent-3-en-1-imine
SMILES[H]/N=C/C=C\C1=C(C)CC(=N\[H])/C1=C\C=C/C
InChIInChI=1S/C13H16N2/c1-3-4-6-12-11(7-5-8-14)10(2)9-13(12)15/h3-8,14-15H,9H2,1-2H3/b4-3-,7-5-,12-6-,14-8+,15-13+
InChIKeyIOGOVHKIAMAACM-CEENVPAISA-N
MW200.29 g/mol
LogP3.43
Rot. Bonds3

About (2Z)-2-[(Z)-but-2-enylidene]-3-[(Z)-3-iminoprop-1-enyl]-4-methylcyclopent-3-en-1-imine

(2Z)-2-[(Z)-but-2-enylidene]-3-[(Z)-3-iminoprop-1-enyl]-4-methylcyclopent-3-en-1-imine (PubChem CID 90128358) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is (2Z)-2-[(Z)-but-2-enylidene]-3-[(Z)-3-iminoprop-1-enyl]-4-methylcyclopent-3-en-1-imine.

Molecular Properties

Compound Name(2Z)-2-[(Z)-but-2-enylidene]-3-[(Z)-3-iminoprop-1-enyl]-4-methylcyclopent-3-en-1-imine
PubChem CID90128358
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name(2Z)-2-[(Z)-but-2-enylidene]-3-[(Z)-3-iminoprop-1-enyl]-4-methylcyclopent-3-en-1-imine
SMILES[H]/N=C/C=C\C1=C(C)CC(=N\[H])/C1=C\C=C/C
InChIInChI=1S/C13H16N2/c1-3-4-6-12-11(7-5-8-14)10(2)9-13(12)15/h3-8,14-15H,9H2,1-2H3/b4-3-,7-5-,12-6-,14-8+,15-13+
InChIKeyIOGOVHKIAMAACM-CEENVPAISA-N
XLogP3.43
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2Z)-2-[(Z)-but-2-enylidene]-3-[(Z)-3-iminoprop-1-enyl]-4-methylcyclopent-3-en-1-imine?
The IUPAC name of (2Z)-2-[(Z)-but-2-enylidene]-3-[(Z)-3-iminoprop-1-enyl]-4-methylcyclopent-3-en-1-imine (CID 90128358) is (2Z)-2-[(Z)-but-2-enylidene]-3-[(Z)-3-iminoprop-1-enyl]-4-methylcyclopent-3-en-1-imine.
What is the SMILES notation for (2Z)-2-[(Z)-but-2-enylidene]-3-[(Z)-3-iminoprop-1-enyl]-4-methylcyclopent-3-en-1-imine?
The canonical SMILES for (2Z)-2-[(Z)-but-2-enylidene]-3-[(Z)-3-iminoprop-1-enyl]-4-methylcyclopent-3-en-1-imine is [H]/N=C/C=C\C1=C(C)CC(=N\[H])/C1=C\C=C/C.
What is the InChIKey of (2Z)-2-[(Z)-but-2-enylidene]-3-[(Z)-3-iminoprop-1-enyl]-4-methylcyclopent-3-en-1-imine?
The InChIKey is IOGOVHKIAMAACM-CEENVPAISA-N. The full InChI is InChI=1S/C13H16N2/c1-3-4-6-12-11(7-5-8-14)10(2)9-13(12)15/h3-8,14-15H,9H2,1-2H3/b4-3-,7-5-,12-6-,14-8+,15-13+.
What are the key properties of (2Z)-2-[(Z)-but-2-enylidene]-3-[(Z)-3-iminoprop-1-enyl]-4-methylcyclopent-3-en-1-imine?
(2Z)-2-[(Z)-but-2-enylidene]-3-[(Z)-3-iminoprop-1-enyl]-4-methylcyclopent-3-en-1-imine has a molecular weight of 200.29 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(Z)-but-2-enylidene]-3-[(Z)-3-iminoprop-1-enyl]-4-methylcyclopent-3-en-1-imine is sourced from PubChem (CID 90128358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).