(E)-5-(dimethylamino)pent-3-en-2-ol

C7H15NO — CID 130122470

IUPAC(E)-5-(dimethylamino)pent-3-en-2-ol
SMILESCC(O)/C=C/CN(C)C
InChIInChI=1S/C7H15NO/c1-7(9)5-4-6-8(2)3/h4-5,7,9H,6H2,1-3H3/b5-4+
InChIKeyPFJAJFCEEWPTLO-SNAWJCMRSA-N
MW129.20 g/mol
LogP0.49
Rot. Bonds3

About (E)-5-(dimethylamino)pent-3-en-2-ol

(E)-5-(dimethylamino)pent-3-en-2-ol (PubChem CID 130122470) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (E)-5-(dimethylamino)pent-3-en-2-ol.

Molecular Properties

Compound Name(E)-5-(dimethylamino)pent-3-en-2-ol
PubChem CID130122470
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(E)-5-(dimethylamino)pent-3-en-2-ol
SMILESCC(O)/C=C/CN(C)C
InChIInChI=1S/C7H15NO/c1-7(9)5-4-6-8(2)3/h4-5,7,9H,6H2,1-3H3/b5-4+
InChIKeyPFJAJFCEEWPTLO-SNAWJCMRSA-N
XLogP0.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.49
H-Bond Donors ≤ 51
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)-5-(dimethylamino)pent-3-en-2-ol?
The IUPAC name of (E)-5-(dimethylamino)pent-3-en-2-ol (CID 130122470) is (E)-5-(dimethylamino)pent-3-en-2-ol.
What is the SMILES notation for (E)-5-(dimethylamino)pent-3-en-2-ol?
The canonical SMILES for (E)-5-(dimethylamino)pent-3-en-2-ol is CC(O)/C=C/CN(C)C.
What is the InChIKey of (E)-5-(dimethylamino)pent-3-en-2-ol?
The InChIKey is PFJAJFCEEWPTLO-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(9)5-4-6-8(2)3/h4-5,7,9H,6H2,1-3H3/b5-4+.
What are the key properties of (E)-5-(dimethylamino)pent-3-en-2-ol?
(E)-5-(dimethylamino)pent-3-en-2-ol has a molecular weight of 129.20 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(dimethylamino)pent-3-en-2-ol is sourced from PubChem (CID 130122470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).