(3Z)-3-but-3-en-2-ylidenebicyclo[4.1.0]hept-4-en-2-imine;ethane

C15H25N — CID 143202782

IUPAC(3Z)-3-but-3-en-2-ylidenebicyclo[4.1.0]hept-4-en-2-imine;ethane
SMILESCC.CC.[H]/N=C1C(=C(/C)C=C)/C=CC2CC/12
InChIInChI=1S/C11H13N.2C2H6/c1-3-7(2)9-5-4-8-6-10(8)11(9)12;2*1-2/h3-5,8,10,12H,1,6H2,2H3;2*1-2H3/b9-7-,12-11-;;
InChIKeyQSEPXNFGQXPGBK-XCBDLFRGSA-N
MW219.37 g/mol
LogP4.77
Rot. Bonds1

About (3Z)-3-but-3-en-2-ylidenebicyclo[4.1.0]hept-4-en-2-imine;ethane

(3Z)-3-but-3-en-2-ylidenebicyclo[4.1.0]hept-4-en-2-imine;ethane (PubChem CID 143202782) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (3Z)-3-but-3-en-2-ylidenebicyclo[4.1.0]hept-4-en-2-imine;ethane.

Molecular Properties

Compound Name(3Z)-3-but-3-en-2-ylidenebicyclo[4.1.0]hept-4-en-2-imine;ethane
PubChem CID143202782
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(3Z)-3-but-3-en-2-ylidenebicyclo[4.1.0]hept-4-en-2-imine;ethane
SMILESCC.CC.[H]/N=C1C(=C(/C)C=C)/C=CC2CC/12
InChIInChI=1S/C11H13N.2C2H6/c1-3-7(2)9-5-4-8-6-10(8)11(9)12;2*1-2/h3-5,8,10,12H,1,6H2,2H3;2*1-2H3/b9-7-,12-11-;;
InChIKeyQSEPXNFGQXPGBK-XCBDLFRGSA-N
XLogP4.77
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (3Z)-3-but-3-en-2-ylidenebicyclo[4.1.0]hept-4-en-2-imine;ethane?
The IUPAC name of (3Z)-3-but-3-en-2-ylidenebicyclo[4.1.0]hept-4-en-2-imine;ethane (CID 143202782) is (3Z)-3-but-3-en-2-ylidenebicyclo[4.1.0]hept-4-en-2-imine;ethane.
What is the SMILES notation for (3Z)-3-but-3-en-2-ylidenebicyclo[4.1.0]hept-4-en-2-imine;ethane?
The canonical SMILES for (3Z)-3-but-3-en-2-ylidenebicyclo[4.1.0]hept-4-en-2-imine;ethane is CC.CC.[H]/N=C1C(=C(/C)C=C)/C=CC2CC/12.
What is the InChIKey of (3Z)-3-but-3-en-2-ylidenebicyclo[4.1.0]hept-4-en-2-imine;ethane?
The InChIKey is QSEPXNFGQXPGBK-XCBDLFRGSA-N. The full InChI is InChI=1S/C11H13N.2C2H6/c1-3-7(2)9-5-4-8-6-10(8)11(9)12;2*1-2/h3-5,8,10,12H,1,6H2,2H3;2*1-2H3/b9-7-,12-11-;;.
What are the key properties of (3Z)-3-but-3-en-2-ylidenebicyclo[4.1.0]hept-4-en-2-imine;ethane?
(3Z)-3-but-3-en-2-ylidenebicyclo[4.1.0]hept-4-en-2-imine;ethane has a molecular weight of 219.37 g/mol, XLogP of 4.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-but-3-en-2-ylidenebicyclo[4.1.0]hept-4-en-2-imine;ethane is sourced from PubChem (CID 143202782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).