(3R)-3-hydroxy-N-prop-2-enylpentanamide

C8H15NO2 — CID 135081115

IUPAC(3R)-3-hydroxy-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)C[C@H](O)CC
InChIInChI=1S/C8H15NO2/c1-3-5-9-8(11)6-7(10)4-2/h3,7,10H,1,4-6H2,2H3,(H,9,11)/t7-/m1/s1
InChIKeyALPDJPOKHPFWJT-SSDOTTSWSA-N
MW157.21 g/mol
LogP0.45
Rot. Bonds5

About (3R)-3-hydroxy-N-prop-2-enylpentanamide

(3R)-3-hydroxy-N-prop-2-enylpentanamide (PubChem CID 135081115) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-prop-2-enylpentanamide
PubChem CID135081115
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3R)-3-hydroxy-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)C[C@H](O)CC
InChIInChI=1S/C8H15NO2/c1-3-5-9-8(11)6-7(10)4-2/h3,7,10H,1,4-6H2,2H3,(H,9,11)/t7-/m1/s1
InChIKeyALPDJPOKHPFWJT-SSDOTTSWSA-N
XLogP0.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-prop-2-enylpentanamide?
The IUPAC name of (3R)-3-hydroxy-N-prop-2-enylpentanamide (CID 135081115) is (3R)-3-hydroxy-N-prop-2-enylpentanamide.
What is the SMILES notation for (3R)-3-hydroxy-N-prop-2-enylpentanamide?
The canonical SMILES for (3R)-3-hydroxy-N-prop-2-enylpentanamide is C=CCNC(=O)C[C@H](O)CC.
What is the InChIKey of (3R)-3-hydroxy-N-prop-2-enylpentanamide?
The InChIKey is ALPDJPOKHPFWJT-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-5-9-8(11)6-7(10)4-2/h3,7,10H,1,4-6H2,2H3,(H,9,11)/t7-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-prop-2-enylpentanamide?
(3R)-3-hydroxy-N-prop-2-enylpentanamide has a molecular weight of 157.21 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-prop-2-enylpentanamide is sourced from PubChem (CID 135081115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).