(1Z)-1-(methylamino)penta-1,4-dien-3-ol

C6H11NO — CID 89324995

IUPAC(1Z)-1-(methylamino)penta-1,4-dien-3-ol
SMILESC=CC(O)/C=C\NC
InChIInChI=1S/C6H11NO/c1-3-6(8)4-5-7-2/h3-8H,1H2,2H3/b5-4-
InChIKeyDTCUZWUEISOPQY-PLNGDYQASA-N
MW113.16 g/mol
LogP0.27
Rot. Bonds3

About (1Z)-1-(methylamino)penta-1,4-dien-3-ol

(1Z)-1-(methylamino)penta-1,4-dien-3-ol (PubChem CID 89324995) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (1Z)-1-(methylamino)penta-1,4-dien-3-ol.

Molecular Properties

Compound Name(1Z)-1-(methylamino)penta-1,4-dien-3-ol
PubChem CID89324995
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(1Z)-1-(methylamino)penta-1,4-dien-3-ol
SMILESC=CC(O)/C=C\NC
InChIInChI=1S/C6H11NO/c1-3-6(8)4-5-7-2/h3-8H,1H2,2H3/b5-4-
InChIKeyDTCUZWUEISOPQY-PLNGDYQASA-N
XLogP0.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.27
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-(methylamino)penta-1,4-dien-3-ol?
The IUPAC name of (1Z)-1-(methylamino)penta-1,4-dien-3-ol (CID 89324995) is (1Z)-1-(methylamino)penta-1,4-dien-3-ol.
What is the SMILES notation for (1Z)-1-(methylamino)penta-1,4-dien-3-ol?
The canonical SMILES for (1Z)-1-(methylamino)penta-1,4-dien-3-ol is C=CC(O)/C=C\NC.
What is the InChIKey of (1Z)-1-(methylamino)penta-1,4-dien-3-ol?
The InChIKey is DTCUZWUEISOPQY-PLNGDYQASA-N. The full InChI is InChI=1S/C6H11NO/c1-3-6(8)4-5-7-2/h3-8H,1H2,2H3/b5-4-.
What are the key properties of (1Z)-1-(methylamino)penta-1,4-dien-3-ol?
(1Z)-1-(methylamino)penta-1,4-dien-3-ol has a molecular weight of 113.16 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(methylamino)penta-1,4-dien-3-ol is sourced from PubChem (CID 89324995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).