(E)-N-[(2R)-1-hydroxybutan-2-yl]but-2-enamide

C8H15NO2 — CID 12046591

IUPAC(E)-N-[(2R)-1-hydroxybutan-2-yl]but-2-enamide
SMILESC/C=C/C(=O)N[C@H](CC)CO
InChIInChI=1S/C8H15NO2/c1-3-5-8(11)9-7(4-2)6-10/h3,5,7,10H,4,6H2,1-2H3,(H,9,11)/b5-3+/t7-/m1/s1
InChIKeySWZSZQCBCORAGC-OHCKJTPYSA-N
MW157.21 g/mol
LogP0.45
Rot. Bonds4

About (E)-N-[(2R)-1-hydroxybutan-2-yl]but-2-enamide

(E)-N-[(2R)-1-hydroxybutan-2-yl]but-2-enamide (PubChem CID 12046591) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (E)-N-[(2R)-1-hydroxybutan-2-yl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2R)-1-hydroxybutan-2-yl]but-2-enamide
PubChem CID12046591
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(E)-N-[(2R)-1-hydroxybutan-2-yl]but-2-enamide
SMILESC/C=C/C(=O)N[C@H](CC)CO
InChIInChI=1S/C8H15NO2/c1-3-5-8(11)9-7(4-2)6-10/h3,5,7,10H,4,6H2,1-2H3,(H,9,11)/b5-3+/t7-/m1/s1
InChIKeySWZSZQCBCORAGC-OHCKJTPYSA-N
XLogP0.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R)-1-hydroxybutan-2-yl]but-2-enamide?
The IUPAC name of (E)-N-[(2R)-1-hydroxybutan-2-yl]but-2-enamide (CID 12046591) is (E)-N-[(2R)-1-hydroxybutan-2-yl]but-2-enamide.
What is the SMILES notation for (E)-N-[(2R)-1-hydroxybutan-2-yl]but-2-enamide?
The canonical SMILES for (E)-N-[(2R)-1-hydroxybutan-2-yl]but-2-enamide is C/C=C/C(=O)N[C@H](CC)CO.
What is the InChIKey of (E)-N-[(2R)-1-hydroxybutan-2-yl]but-2-enamide?
The InChIKey is SWZSZQCBCORAGC-OHCKJTPYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-5-8(11)9-7(4-2)6-10/h3,5,7,10H,4,6H2,1-2H3,(H,9,11)/b5-3+/t7-/m1/s1.
What are the key properties of (E)-N-[(2R)-1-hydroxybutan-2-yl]but-2-enamide?
(E)-N-[(2R)-1-hydroxybutan-2-yl]but-2-enamide has a molecular weight of 157.21 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2R)-1-hydroxybutan-2-yl]but-2-enamide is sourced from PubChem (CID 12046591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).