(E)-4-(propan-2-ylamino)but-2-en-1-ol

C7H15NO — CID 115011201

IUPAC(E)-4-(propan-2-ylamino)but-2-en-1-ol
SMILESCC(C)NC/C=C/CO
InChIInChI=1S/C7H15NO/c1-7(2)8-5-3-4-6-9/h3-4,7-9H,5-6H2,1-2H3/b4-3+
InChIKeyXEDAHMMRTYORBS-ONEGZZNKSA-N
MW129.20 g/mol
LogP0.53
Rot. Bonds4

About (E)-4-(propan-2-ylamino)but-2-en-1-ol

(E)-4-(propan-2-ylamino)but-2-en-1-ol (PubChem CID 115011201) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (E)-4-(propan-2-ylamino)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(propan-2-ylamino)but-2-en-1-ol
PubChem CID115011201
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(E)-4-(propan-2-ylamino)but-2-en-1-ol
SMILESCC(C)NC/C=C/CO
InChIInChI=1S/C7H15NO/c1-7(2)8-5-3-4-6-9/h3-4,7-9H,5-6H2,1-2H3/b4-3+
InChIKeyXEDAHMMRTYORBS-ONEGZZNKSA-N
XLogP0.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(propan-2-ylamino)but-2-en-1-ol?
The IUPAC name of (E)-4-(propan-2-ylamino)but-2-en-1-ol (CID 115011201) is (E)-4-(propan-2-ylamino)but-2-en-1-ol.
What is the SMILES notation for (E)-4-(propan-2-ylamino)but-2-en-1-ol?
The canonical SMILES for (E)-4-(propan-2-ylamino)but-2-en-1-ol is CC(C)NC/C=C/CO.
What is the InChIKey of (E)-4-(propan-2-ylamino)but-2-en-1-ol?
The InChIKey is XEDAHMMRTYORBS-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2)8-5-3-4-6-9/h3-4,7-9H,5-6H2,1-2H3/b4-3+.
What are the key properties of (E)-4-(propan-2-ylamino)but-2-en-1-ol?
(E)-4-(propan-2-ylamino)but-2-en-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(propan-2-ylamino)but-2-en-1-ol is sourced from PubChem (CID 115011201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).