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

C5H9NO — CID 144930691

IUPAC(Z)-2-(propan-2-ylideneamino)ethenol
SMILESCC(C)=N/C=C\O
InChIInChI=1S/C5H9NO/c1-5(2)6-3-4-7/h3-4,7H,1-2H3/b4-3-
InChIKeyURTRPRIBAGPJIA-ARJAWSKDSA-N
MW99.13 g/mol
LogP1.50
Rot. Bonds1

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

(Z)-2-(propan-2-ylideneamino)ethenol (PubChem CID 144930691) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (Z)-2-(propan-2-ylideneamino)ethenol.

Molecular Properties

Compound Name(Z)-2-(propan-2-ylideneamino)ethenol
PubChem CID144930691
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(Z)-2-(propan-2-ylideneamino)ethenol
SMILESCC(C)=N/C=C\O
InChIInChI=1S/C5H9NO/c1-5(2)6-3-4-7/h3-4,7H,1-2H3/b4-3-
InChIKeyURTRPRIBAGPJIA-ARJAWSKDSA-N
XLogP1.50
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 51.50
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 (Z)-2-(propan-2-ylideneamino)ethenol?
The IUPAC name of (Z)-2-(propan-2-ylideneamino)ethenol (CID 144930691) is (Z)-2-(propan-2-ylideneamino)ethenol.
What is the SMILES notation for (Z)-2-(propan-2-ylideneamino)ethenol?
The canonical SMILES for (Z)-2-(propan-2-ylideneamino)ethenol is CC(C)=N/C=C\O.
What is the InChIKey of (Z)-2-(propan-2-ylideneamino)ethenol?
The InChIKey is URTRPRIBAGPJIA-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H9NO/c1-5(2)6-3-4-7/h3-4,7H,1-2H3/b4-3-.
What are the key properties of (Z)-2-(propan-2-ylideneamino)ethenol?
(Z)-2-(propan-2-ylideneamino)ethenol has a molecular weight of 99.13 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(propan-2-ylideneamino)ethenol is sourced from PubChem (CID 144930691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).