2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-en-1-ol

C8H13NO — CID 144849641

IUPAC2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-en-1-ol
SMILESC=C(/C=N/C(C)=C\C)CO
InChIInChI=1S/C8H13NO/c1-4-8(3)9-5-7(2)6-10/h4-5,10H,2,6H2,1,3H3/b8-4-,9-5+
InChIKeyFVHIQRLJFPZFQI-MVTUOISNSA-N
MW139.20 g/mol
LogP1.53
Rot. Bonds3

About 2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-en-1-ol

2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-en-1-ol (PubChem CID 144849641) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-en-1-ol.

Molecular Properties

Compound Name2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-en-1-ol
PubChem CID144849641
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-en-1-ol
SMILESC=C(/C=N/C(C)=C\C)CO
InChIInChI=1S/C8H13NO/c1-4-8(3)9-5-7(2)6-10/h4-5,10H,2,6H2,1,3H3/b8-4-,9-5+
InChIKeyFVHIQRLJFPZFQI-MVTUOISNSA-N
XLogP1.53
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.53
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 2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-en-1-ol?
The IUPAC name of 2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-en-1-ol (CID 144849641) is 2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-en-1-ol.
What is the SMILES notation for 2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-en-1-ol?
The canonical SMILES for 2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-en-1-ol is C=C(/C=N/C(C)=C\C)CO.
What is the InChIKey of 2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-en-1-ol?
The InChIKey is FVHIQRLJFPZFQI-MVTUOISNSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-8(3)9-5-7(2)6-10/h4-5,10H,2,6H2,1,3H3/b8-4-,9-5+.
What are the key properties of 2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-en-1-ol?
2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-en-1-ol has a molecular weight of 139.20 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-en-1-ol is sourced from PubChem (CID 144849641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).