(3E)-3-[(propylideneamino)methylidene]pent-4-en-2-ol

C9H15NO — CID 142182197

IUPAC(3E)-3-[(propylideneamino)methylidene]pent-4-en-2-ol
SMILESC=C/C(=C\N=C\CC)C(C)O
InChIInChI=1S/C9H15NO/c1-4-6-10-7-9(5-2)8(3)11/h5-8,11H,2,4H2,1,3H3/b9-7+,10-6+
InChIKeyQOZNIRQEYXKITJ-IDXDHNASSA-N
MW153.22 g/mol
LogP1.92
Rot. Bonds4

About (3E)-3-[(propylideneamino)methylidene]pent-4-en-2-ol

(3E)-3-[(propylideneamino)methylidene]pent-4-en-2-ol (PubChem CID 142182197) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3E)-3-[(propylideneamino)methylidene]pent-4-en-2-ol.

Molecular Properties

Compound Name(3E)-3-[(propylideneamino)methylidene]pent-4-en-2-ol
PubChem CID142182197
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3E)-3-[(propylideneamino)methylidene]pent-4-en-2-ol
SMILESC=C/C(=C\N=C\CC)C(C)O
InChIInChI=1S/C9H15NO/c1-4-6-10-7-9(5-2)8(3)11/h5-8,11H,2,4H2,1,3H3/b9-7+,10-6+
InChIKeyQOZNIRQEYXKITJ-IDXDHNASSA-N
XLogP1.92
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(propylideneamino)methylidene]pent-4-en-2-ol?
The IUPAC name of (3E)-3-[(propylideneamino)methylidene]pent-4-en-2-ol (CID 142182197) is (3E)-3-[(propylideneamino)methylidene]pent-4-en-2-ol.
What is the SMILES notation for (3E)-3-[(propylideneamino)methylidene]pent-4-en-2-ol?
The canonical SMILES for (3E)-3-[(propylideneamino)methylidene]pent-4-en-2-ol is C=C/C(=C\N=C\CC)C(C)O.
What is the InChIKey of (3E)-3-[(propylideneamino)methylidene]pent-4-en-2-ol?
The InChIKey is QOZNIRQEYXKITJ-IDXDHNASSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-6-10-7-9(5-2)8(3)11/h5-8,11H,2,4H2,1,3H3/b9-7+,10-6+.
What are the key properties of (3E)-3-[(propylideneamino)methylidene]pent-4-en-2-ol?
(3E)-3-[(propylideneamino)methylidene]pent-4-en-2-ol has a molecular weight of 153.22 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(propylideneamino)methylidene]pent-4-en-2-ol is sourced from PubChem (CID 142182197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).