ethane;N-[(Z)-prop-1-enyl]propan-1-imine;vanadium

C8H17NV — CID 143659410

IUPACethane;N-[(Z)-prop-1-enyl]propan-1-imine;vanadium
SMILESC/C=C\N=C\CC.CC.[V]
InChIInChI=1S/C6H11N.C2H6.V/c1-3-5-7-6-4-2;1-2;/h3,5-6H,4H2,1-2H3;1-2H3;/b5-3-,7-6+;;
InChIKeyBDEDEGRSAFYQMZ-MTNAQIQCSA-N
MW178.17 g/mol
LogP3.02
Rot. Bonds2

About ethane;N-[(Z)-prop-1-enyl]propan-1-imine;vanadium

ethane;N-[(Z)-prop-1-enyl]propan-1-imine;vanadium (PubChem CID 143659410) has the molecular formula C8H17NV and a molecular weight of 178.17 g/mol. Its IUPAC name is ethane;N-[(Z)-prop-1-enyl]propan-1-imine;vanadium.

Molecular Properties

Compound Nameethane;N-[(Z)-prop-1-enyl]propan-1-imine;vanadium
PubChem CID143659410
Molecular FormulaC8H17NV
Molecular Weight178.17 g/mol
Exact Mass178.08
IUPAC Nameethane;N-[(Z)-prop-1-enyl]propan-1-imine;vanadium
SMILESC/C=C\N=C\CC.CC.[V]
InChIInChI=1S/C6H11N.C2H6.V/c1-3-5-7-6-4-2;1-2;/h3,5-6H,4H2,1-2H3;1-2H3;/b5-3-,7-6+;;
InChIKeyBDEDEGRSAFYQMZ-MTNAQIQCSA-N
XLogP3.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 53.02
H-Bond Donors ≤ 50
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 ethane;N-[(Z)-prop-1-enyl]propan-1-imine;vanadium?
The IUPAC name of ethane;N-[(Z)-prop-1-enyl]propan-1-imine;vanadium (CID 143659410) is ethane;N-[(Z)-prop-1-enyl]propan-1-imine;vanadium.
What is the SMILES notation for ethane;N-[(Z)-prop-1-enyl]propan-1-imine;vanadium?
The canonical SMILES for ethane;N-[(Z)-prop-1-enyl]propan-1-imine;vanadium is C/C=C\N=C\CC.CC.[V].
What is the InChIKey of ethane;N-[(Z)-prop-1-enyl]propan-1-imine;vanadium?
The InChIKey is BDEDEGRSAFYQMZ-MTNAQIQCSA-N. The full InChI is InChI=1S/C6H11N.C2H6.V/c1-3-5-7-6-4-2;1-2;/h3,5-6H,4H2,1-2H3;1-2H3;/b5-3-,7-6+;;.
What are the key properties of ethane;N-[(Z)-prop-1-enyl]propan-1-imine;vanadium?
ethane;N-[(Z)-prop-1-enyl]propan-1-imine;vanadium has a molecular weight of 178.17 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-prop-1-enyl]propan-1-imine;vanadium is sourced from PubChem (CID 143659410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).