(2S)-2-hydroxy-N-prop-2-enylbut-3-enamide

C7H11NO2 — CID 173004371

IUPAC(2S)-2-hydroxy-N-prop-2-enylbut-3-enamide
SMILESC=CCNC(=O)[C@@H](O)C=C
InChIInChI=1S/C7H11NO2/c1-3-5-8-7(10)6(9)4-2/h3-4,6,9H,1-2,5H2,(H,8,10)/t6-/m0/s1
InChIKeyBQCFFAVHLXDJEG-LURJTMIESA-N
MW141.17 g/mol
LogP-0.16
Rot. Bonds4

About (2S)-2-hydroxy-N-prop-2-enylbut-3-enamide

(2S)-2-hydroxy-N-prop-2-enylbut-3-enamide (PubChem CID 173004371) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-prop-2-enylbut-3-enamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-prop-2-enylbut-3-enamide
PubChem CID173004371
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(2S)-2-hydroxy-N-prop-2-enylbut-3-enamide
SMILESC=CCNC(=O)[C@@H](O)C=C
InChIInChI=1S/C7H11NO2/c1-3-5-8-7(10)6(9)4-2/h3-4,6,9H,1-2,5H2,(H,8,10)/t6-/m0/s1
InChIKeyBQCFFAVHLXDJEG-LURJTMIESA-N
XLogP-0.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.16
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 (2S)-2-hydroxy-N-prop-2-enylbut-3-enamide?
The IUPAC name of (2S)-2-hydroxy-N-prop-2-enylbut-3-enamide (CID 173004371) is (2S)-2-hydroxy-N-prop-2-enylbut-3-enamide.
What is the SMILES notation for (2S)-2-hydroxy-N-prop-2-enylbut-3-enamide?
The canonical SMILES for (2S)-2-hydroxy-N-prop-2-enylbut-3-enamide is C=CCNC(=O)[C@@H](O)C=C.
What is the InChIKey of (2S)-2-hydroxy-N-prop-2-enylbut-3-enamide?
The InChIKey is BQCFFAVHLXDJEG-LURJTMIESA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-5-8-7(10)6(9)4-2/h3-4,6,9H,1-2,5H2,(H,8,10)/t6-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-prop-2-enylbut-3-enamide?
(2S)-2-hydroxy-N-prop-2-enylbut-3-enamide has a molecular weight of 141.17 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-prop-2-enylbut-3-enamide is sourced from PubChem (CID 173004371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).