(3Z)-3-(methylamino)penta-1,3-dien-2-ol

C6H11NO — CID 89219015

IUPAC(3Z)-3-(methylamino)penta-1,3-dien-2-ol
SMILESC=C(O)/C(=C/C)NC
InChIInChI=1S/C6H11NO/c1-4-6(7-3)5(2)8/h4,7-8H,2H2,1,3H3/b6-4-
InChIKeyLQPMUSBHUGYYBE-XQRVVYSFSA-N
MW113.16 g/mol
LogP1.18
Rot. Bonds2

About (3Z)-3-(methylamino)penta-1,3-dien-2-ol

(3Z)-3-(methylamino)penta-1,3-dien-2-ol (PubChem CID 89219015) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (3Z)-3-(methylamino)penta-1,3-dien-2-ol.

Molecular Properties

Compound Name(3Z)-3-(methylamino)penta-1,3-dien-2-ol
PubChem CID89219015
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(3Z)-3-(methylamino)penta-1,3-dien-2-ol
SMILESC=C(O)/C(=C/C)NC
InChIInChI=1S/C6H11NO/c1-4-6(7-3)5(2)8/h4,7-8H,2H2,1,3H3/b6-4-
InChIKeyLQPMUSBHUGYYBE-XQRVVYSFSA-N
XLogP1.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(methylamino)penta-1,3-dien-2-ol?
The IUPAC name of (3Z)-3-(methylamino)penta-1,3-dien-2-ol (CID 89219015) is (3Z)-3-(methylamino)penta-1,3-dien-2-ol.
What is the SMILES notation for (3Z)-3-(methylamino)penta-1,3-dien-2-ol?
The canonical SMILES for (3Z)-3-(methylamino)penta-1,3-dien-2-ol is C=C(O)/C(=C/C)NC.
What is the InChIKey of (3Z)-3-(methylamino)penta-1,3-dien-2-ol?
The InChIKey is LQPMUSBHUGYYBE-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-6(7-3)5(2)8/h4,7-8H,2H2,1,3H3/b6-4-.
What are the key properties of (3Z)-3-(methylamino)penta-1,3-dien-2-ol?
(3Z)-3-(methylamino)penta-1,3-dien-2-ol has a molecular weight of 113.16 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(methylamino)penta-1,3-dien-2-ol is sourced from PubChem (CID 89219015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).