(3R)-3-hydroxy-N-methoxy-N-methylpent-4-enamide

C7H13NO3 — CID 25259472

IUPAC(3R)-3-hydroxy-N-methoxy-N-methylpent-4-enamide
SMILESC=C[C@H](O)CC(=O)N(C)OC
InChIInChI=1S/C7H13NO3/c1-4-6(9)5-7(10)8(2)11-3/h4,6,9H,1,5H2,2-3H3/t6-/m0/s1
InChIKeyANXFSUMTOLDKQW-LURJTMIESA-N
MW159.18 g/mol
LogP-0.06
Rot. Bonds4

About (3R)-3-hydroxy-N-methoxy-N-methylpent-4-enamide

(3R)-3-hydroxy-N-methoxy-N-methylpent-4-enamide (PubChem CID 25259472) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-methoxy-N-methylpent-4-enamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-methoxy-N-methylpent-4-enamide
PubChem CID25259472
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(3R)-3-hydroxy-N-methoxy-N-methylpent-4-enamide
SMILESC=C[C@H](O)CC(=O)N(C)OC
InChIInChI=1S/C7H13NO3/c1-4-6(9)5-7(10)8(2)11-3/h4,6,9H,1,5H2,2-3H3/t6-/m0/s1
InChIKeyANXFSUMTOLDKQW-LURJTMIESA-N
XLogP-0.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-methoxy-N-methylpent-4-enamide?
The IUPAC name of (3R)-3-hydroxy-N-methoxy-N-methylpent-4-enamide (CID 25259472) is (3R)-3-hydroxy-N-methoxy-N-methylpent-4-enamide.
What is the SMILES notation for (3R)-3-hydroxy-N-methoxy-N-methylpent-4-enamide?
The canonical SMILES for (3R)-3-hydroxy-N-methoxy-N-methylpent-4-enamide is C=C[C@H](O)CC(=O)N(C)OC.
What is the InChIKey of (3R)-3-hydroxy-N-methoxy-N-methylpent-4-enamide?
The InChIKey is ANXFSUMTOLDKQW-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-6(9)5-7(10)8(2)11-3/h4,6,9H,1,5H2,2-3H3/t6-/m0/s1.
What are the key properties of (3R)-3-hydroxy-N-methoxy-N-methylpent-4-enamide?
(3R)-3-hydroxy-N-methoxy-N-methylpent-4-enamide has a molecular weight of 159.18 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-methoxy-N-methylpent-4-enamide is sourced from PubChem (CID 25259472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).