(Z)-4-(prop-2-enylideneamino)but-3-en-1-ol

C7H11NO — CID 89418448

IUPAC(Z)-4-(prop-2-enylideneamino)but-3-en-1-ol
SMILESC=C/C=N/C=C\CCO
InChIInChI=1S/C7H11NO/c1-2-5-8-6-3-4-7-9/h2-3,5-6,9H,1,4,7H2/b6-3-,8-5+
InChIKeyVWPLPVCCVJOOMN-LILZIHMPSA-N
MW125.17 g/mol
LogP1.14
Rot. Bonds4

About (Z)-4-(prop-2-enylideneamino)but-3-en-1-ol

(Z)-4-(prop-2-enylideneamino)but-3-en-1-ol (PubChem CID 89418448) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (Z)-4-(prop-2-enylideneamino)but-3-en-1-ol.

Molecular Properties

Compound Name(Z)-4-(prop-2-enylideneamino)but-3-en-1-ol
PubChem CID89418448
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(Z)-4-(prop-2-enylideneamino)but-3-en-1-ol
SMILESC=C/C=N/C=C\CCO
InChIInChI=1S/C7H11NO/c1-2-5-8-6-3-4-7-9/h2-3,5-6,9H,1,4,7H2/b6-3-,8-5+
InChIKeyVWPLPVCCVJOOMN-LILZIHMPSA-N
XLogP1.14
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(prop-2-enylideneamino)but-3-en-1-ol?
The IUPAC name of (Z)-4-(prop-2-enylideneamino)but-3-en-1-ol (CID 89418448) is (Z)-4-(prop-2-enylideneamino)but-3-en-1-ol.
What is the SMILES notation for (Z)-4-(prop-2-enylideneamino)but-3-en-1-ol?
The canonical SMILES for (Z)-4-(prop-2-enylideneamino)but-3-en-1-ol is C=C/C=N/C=C\CCO.
What is the InChIKey of (Z)-4-(prop-2-enylideneamino)but-3-en-1-ol?
The InChIKey is VWPLPVCCVJOOMN-LILZIHMPSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-5-8-6-3-4-7-9/h2-3,5-6,9H,1,4,7H2/b6-3-,8-5+.
What are the key properties of (Z)-4-(prop-2-enylideneamino)but-3-en-1-ol?
(Z)-4-(prop-2-enylideneamino)but-3-en-1-ol has a molecular weight of 125.17 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(prop-2-enylideneamino)but-3-en-1-ol is sourced from PubChem (CID 89418448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).