ethane;(Z)-2-(propan-2-ylideneamino)ethenol

C7H15NO — CID 144930690

IUPACethane;(Z)-2-(propan-2-ylideneamino)ethenol
SMILESCC.CC(C)=N/C=C\O
InChIInChI=1S/C5H9NO.C2H6/c1-5(2)6-3-4-7;1-2/h3-4,7H,1-2H3;1-2H3/b4-3-;
InChIKeyWUEYEZWRELGHET-LNKPDPKZSA-N
MW129.20 g/mol
LogP2.52
Rot. Bonds1

About ethane;(Z)-2-(propan-2-ylideneamino)ethenol

ethane;(Z)-2-(propan-2-ylideneamino)ethenol (PubChem CID 144930690) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is ethane;(Z)-2-(propan-2-ylideneamino)ethenol.

Molecular Properties

Compound Nameethane;(Z)-2-(propan-2-ylideneamino)ethenol
PubChem CID144930690
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Nameethane;(Z)-2-(propan-2-ylideneamino)ethenol
SMILESCC.CC(C)=N/C=C\O
InChIInChI=1S/C5H9NO.C2H6/c1-5(2)6-3-4-7;1-2/h3-4,7H,1-2H3;1-2H3/b4-3-;
InChIKeyWUEYEZWRELGHET-LNKPDPKZSA-N
XLogP2.52
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-(propan-2-ylideneamino)ethenol?
The IUPAC name of ethane;(Z)-2-(propan-2-ylideneamino)ethenol (CID 144930690) is ethane;(Z)-2-(propan-2-ylideneamino)ethenol.
What is the SMILES notation for ethane;(Z)-2-(propan-2-ylideneamino)ethenol?
The canonical SMILES for ethane;(Z)-2-(propan-2-ylideneamino)ethenol is CC.CC(C)=N/C=C\O.
What is the InChIKey of ethane;(Z)-2-(propan-2-ylideneamino)ethenol?
The InChIKey is WUEYEZWRELGHET-LNKPDPKZSA-N. The full InChI is InChI=1S/C5H9NO.C2H6/c1-5(2)6-3-4-7;1-2/h3-4,7H,1-2H3;1-2H3/b4-3-;.
What are the key properties of ethane;(Z)-2-(propan-2-ylideneamino)ethenol?
ethane;(Z)-2-(propan-2-ylideneamino)ethenol has a molecular weight of 129.20 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-(propan-2-ylideneamino)ethenol is sourced from PubChem (CID 144930690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).