1-[[(Z)-but-2-enylidene]amino]prop-2-en-1-ol

C7H11NO — CID 123537791

IUPAC1-[[(Z)-but-2-enylidene]amino]prop-2-en-1-ol
SMILESC=CC(O)N=C/C=C\C
InChIInChI=1S/C7H11NO/c1-3-5-6-8-7(9)4-2/h3-7,9H,2H2,1H3/b5-3-,8-6?
InChIKeySFUKXALODFFUFP-YNVOBBJPSA-N
MW125.17 g/mol
LogP1.14
Rot. Bonds3

About 1-[[(Z)-but-2-enylidene]amino]prop-2-en-1-ol

1-[[(Z)-but-2-enylidene]amino]prop-2-en-1-ol (PubChem CID 123537791) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-[[(Z)-but-2-enylidene]amino]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[[(Z)-but-2-enylidene]amino]prop-2-en-1-ol
PubChem CID123537791
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-[[(Z)-but-2-enylidene]amino]prop-2-en-1-ol
SMILESC=CC(O)N=C/C=C\C
InChIInChI=1S/C7H11NO/c1-3-5-6-8-7(9)4-2/h3-7,9H,2H2,1H3/b5-3-,8-6?
InChIKeySFUKXALODFFUFP-YNVOBBJPSA-N
XLogP1.14
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(Z)-but-2-enylidene]amino]prop-2-en-1-ol?
The IUPAC name of 1-[[(Z)-but-2-enylidene]amino]prop-2-en-1-ol (CID 123537791) is 1-[[(Z)-but-2-enylidene]amino]prop-2-en-1-ol.
What is the SMILES notation for 1-[[(Z)-but-2-enylidene]amino]prop-2-en-1-ol?
The canonical SMILES for 1-[[(Z)-but-2-enylidene]amino]prop-2-en-1-ol is C=CC(O)N=C/C=C\C.
What is the InChIKey of 1-[[(Z)-but-2-enylidene]amino]prop-2-en-1-ol?
The InChIKey is SFUKXALODFFUFP-YNVOBBJPSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-5-6-8-7(9)4-2/h3-7,9H,2H2,1H3/b5-3-,8-6?.
What are the key properties of 1-[[(Z)-but-2-enylidene]amino]prop-2-en-1-ol?
1-[[(Z)-but-2-enylidene]amino]prop-2-en-1-ol has a molecular weight of 125.17 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(Z)-but-2-enylidene]amino]prop-2-en-1-ol is sourced from PubChem (CID 123537791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).