(1Z)-1-aminopenta-1,4-dien-3-ol;ethane

C7H15NO — CID 143243898

IUPAC(1Z)-1-aminopenta-1,4-dien-3-ol;ethane
SMILESC=CC(O)/C=C\N.CC
InChIInChI=1S/C5H9NO.C2H6/c1-2-5(7)3-4-6;1-2/h2-5,7H,1,6H2;1-2H3/b4-3-;
InChIKeyMJBAOLYTMOBWFJ-LNKPDPKZSA-N
MW129.20 g/mol
LogP1.03
Rot. Bonds2

About (1Z)-1-aminopenta-1,4-dien-3-ol;ethane

(1Z)-1-aminopenta-1,4-dien-3-ol;ethane (PubChem CID 143243898) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (1Z)-1-aminopenta-1,4-dien-3-ol;ethane.

Molecular Properties

Compound Name(1Z)-1-aminopenta-1,4-dien-3-ol;ethane
PubChem CID143243898
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(1Z)-1-aminopenta-1,4-dien-3-ol;ethane
SMILESC=CC(O)/C=C\N.CC
InChIInChI=1S/C5H9NO.C2H6/c1-2-5(7)3-4-6;1-2/h2-5,7H,1,6H2;1-2H3/b4-3-;
InChIKeyMJBAOLYTMOBWFJ-LNKPDPKZSA-N
XLogP1.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.03
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 (1Z)-1-aminopenta-1,4-dien-3-ol;ethane?
The IUPAC name of (1Z)-1-aminopenta-1,4-dien-3-ol;ethane (CID 143243898) is (1Z)-1-aminopenta-1,4-dien-3-ol;ethane.
What is the SMILES notation for (1Z)-1-aminopenta-1,4-dien-3-ol;ethane?
The canonical SMILES for (1Z)-1-aminopenta-1,4-dien-3-ol;ethane is C=CC(O)/C=C\N.CC.
What is the InChIKey of (1Z)-1-aminopenta-1,4-dien-3-ol;ethane?
The InChIKey is MJBAOLYTMOBWFJ-LNKPDPKZSA-N. The full InChI is InChI=1S/C5H9NO.C2H6/c1-2-5(7)3-4-6;1-2/h2-5,7H,1,6H2;1-2H3/b4-3-;.
What are the key properties of (1Z)-1-aminopenta-1,4-dien-3-ol;ethane?
(1Z)-1-aminopenta-1,4-dien-3-ol;ethane has a molecular weight of 129.20 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-aminopenta-1,4-dien-3-ol;ethane is sourced from PubChem (CID 143243898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).