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

C5H9NO — CID 143163439

IUPAC(Z)-1-(ethylideneamino)prop-1-en-2-ol
SMILESC/C=N/C=C(/C)O
InChIInChI=1S/C5H9NO/c1-3-6-4-5(2)7/h3-4,7H,1-2H3/b5-4-,6-3+
InChIKeyAPSMKICEPBWAMI-XNYOYJNRSA-N
MW99.13 g/mol
LogP1.50
Rot. Bonds1

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

(Z)-1-(ethylideneamino)prop-1-en-2-ol (PubChem CID 143163439) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (Z)-1-(ethylideneamino)prop-1-en-2-ol.

Molecular Properties

Compound Name(Z)-1-(ethylideneamino)prop-1-en-2-ol
PubChem CID143163439
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(Z)-1-(ethylideneamino)prop-1-en-2-ol
SMILESC/C=N/C=C(/C)O
InChIInChI=1S/C5H9NO/c1-3-6-4-5(2)7/h3-4,7H,1-2H3/b5-4-,6-3+
InChIKeyAPSMKICEPBWAMI-XNYOYJNRSA-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)-1-(ethylideneamino)prop-1-en-2-ol?
The IUPAC name of (Z)-1-(ethylideneamino)prop-1-en-2-ol (CID 143163439) is (Z)-1-(ethylideneamino)prop-1-en-2-ol.
What is the SMILES notation for (Z)-1-(ethylideneamino)prop-1-en-2-ol?
The canonical SMILES for (Z)-1-(ethylideneamino)prop-1-en-2-ol is C/C=N/C=C(/C)O.
What is the InChIKey of (Z)-1-(ethylideneamino)prop-1-en-2-ol?
The InChIKey is APSMKICEPBWAMI-XNYOYJNRSA-N. The full InChI is InChI=1S/C5H9NO/c1-3-6-4-5(2)7/h3-4,7H,1-2H3/b5-4-,6-3+.
What are the key properties of (Z)-1-(ethylideneamino)prop-1-en-2-ol?
(Z)-1-(ethylideneamino)prop-1-en-2-ol 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)-1-(ethylideneamino)prop-1-en-2-ol is sourced from PubChem (CID 143163439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).