(2R)-2-ethenyl-N-(2-hydroxyethyl)pentanamide

C9H17NO2 — CID 126716827

IUPAC(2R)-2-ethenyl-N-(2-hydroxyethyl)pentanamide
SMILESC=C[C@@H](CCC)C(=O)NCCO
InChIInChI=1S/C9H17NO2/c1-3-5-8(4-2)9(12)10-6-7-11/h4,8,11H,2-3,5-7H2,1H3,(H,10,12)/t8-/m0/s1
InChIKeyQUKBHZMQVBHDJK-QMMMGPOBSA-N
MW171.24 g/mol
LogP0.70
Rot. Bonds6

About (2R)-2-ethenyl-N-(2-hydroxyethyl)pentanamide

(2R)-2-ethenyl-N-(2-hydroxyethyl)pentanamide (PubChem CID 126716827) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2R)-2-ethenyl-N-(2-hydroxyethyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-ethenyl-N-(2-hydroxyethyl)pentanamide
PubChem CID126716827
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2R)-2-ethenyl-N-(2-hydroxyethyl)pentanamide
SMILESC=C[C@@H](CCC)C(=O)NCCO
InChIInChI=1S/C9H17NO2/c1-3-5-8(4-2)9(12)10-6-7-11/h4,8,11H,2-3,5-7H2,1H3,(H,10,12)/t8-/m0/s1
InChIKeyQUKBHZMQVBHDJK-QMMMGPOBSA-N
XLogP0.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.70
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 (2R)-2-ethenyl-N-(2-hydroxyethyl)pentanamide?
The IUPAC name of (2R)-2-ethenyl-N-(2-hydroxyethyl)pentanamide (CID 126716827) is (2R)-2-ethenyl-N-(2-hydroxyethyl)pentanamide.
What is the SMILES notation for (2R)-2-ethenyl-N-(2-hydroxyethyl)pentanamide?
The canonical SMILES for (2R)-2-ethenyl-N-(2-hydroxyethyl)pentanamide is C=C[C@@H](CCC)C(=O)NCCO.
What is the InChIKey of (2R)-2-ethenyl-N-(2-hydroxyethyl)pentanamide?
The InChIKey is QUKBHZMQVBHDJK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-5-8(4-2)9(12)10-6-7-11/h4,8,11H,2-3,5-7H2,1H3,(H,10,12)/t8-/m0/s1.
What are the key properties of (2R)-2-ethenyl-N-(2-hydroxyethyl)pentanamide?
(2R)-2-ethenyl-N-(2-hydroxyethyl)pentanamide has a molecular weight of 171.24 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethenyl-N-(2-hydroxyethyl)pentanamide is sourced from PubChem (CID 126716827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).