(Z)-2-(prop-2-enylideneamino)prop-1-en-1-ol

C6H9NO — CID 167216621

IUPAC(Z)-2-(prop-2-enylideneamino)prop-1-en-1-ol
SMILESC=C/C=N/C(C)=C\O
InChIInChI=1S/C6H9NO/c1-3-4-7-6(2)5-8/h3-5,8H,1H2,2H3/b6-5-,7-4+
InChIKeyUGMRSINSZVXWLZ-IUQJDUBZSA-N
MW111.14 g/mol
LogP1.66
Rot. Bonds2

About (Z)-2-(prop-2-enylideneamino)prop-1-en-1-ol

(Z)-2-(prop-2-enylideneamino)prop-1-en-1-ol (PubChem CID 167216621) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (Z)-2-(prop-2-enylideneamino)prop-1-en-1-ol.

Molecular Properties

Compound Name(Z)-2-(prop-2-enylideneamino)prop-1-en-1-ol
PubChem CID167216621
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(Z)-2-(prop-2-enylideneamino)prop-1-en-1-ol
SMILESC=C/C=N/C(C)=C\O
InChIInChI=1S/C6H9NO/c1-3-4-7-6(2)5-8/h3-5,8H,1H2,2H3/b6-5-,7-4+
InChIKeyUGMRSINSZVXWLZ-IUQJDUBZSA-N
XLogP1.66
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.66
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-(prop-2-enylideneamino)prop-1-en-1-ol?
The IUPAC name of (Z)-2-(prop-2-enylideneamino)prop-1-en-1-ol (CID 167216621) is (Z)-2-(prop-2-enylideneamino)prop-1-en-1-ol.
What is the SMILES notation for (Z)-2-(prop-2-enylideneamino)prop-1-en-1-ol?
The canonical SMILES for (Z)-2-(prop-2-enylideneamino)prop-1-en-1-ol is C=C/C=N/C(C)=C\O.
What is the InChIKey of (Z)-2-(prop-2-enylideneamino)prop-1-en-1-ol?
The InChIKey is UGMRSINSZVXWLZ-IUQJDUBZSA-N. The full InChI is InChI=1S/C6H9NO/c1-3-4-7-6(2)5-8/h3-5,8H,1H2,2H3/b6-5-,7-4+.
What are the key properties of (Z)-2-(prop-2-enylideneamino)prop-1-en-1-ol?
(Z)-2-(prop-2-enylideneamino)prop-1-en-1-ol has a molecular weight of 111.14 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(prop-2-enylideneamino)prop-1-en-1-ol is sourced from PubChem (CID 167216621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).