N-[(2S)-1-hydroxybutan-2-yl]-N-prop-2-enylacetamide

C9H17NO2 — CID 135084116

IUPACN-[(2S)-1-hydroxybutan-2-yl]-N-prop-2-enylacetamide
SMILESC=CCN(C(C)=O)[C@@H](CC)CO
InChIInChI=1S/C9H17NO2/c1-4-6-10(8(3)12)9(5-2)7-11/h4,9,11H,1,5-7H2,2-3H3/t9-/m0/s1
InChIKeyBPKIJVCKCYOPRK-VIFPVBQESA-N
MW171.24 g/mol
LogP0.79
Rot. Bonds5

About N-[(2S)-1-hydroxybutan-2-yl]-N-prop-2-enylacetamide

N-[(2S)-1-hydroxybutan-2-yl]-N-prop-2-enylacetamide (PubChem CID 135084116) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-N-prop-2-enylacetamide
PubChem CID135084116
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-N-prop-2-enylacetamide
SMILESC=CCN(C(C)=O)[C@@H](CC)CO
InChIInChI=1S/C9H17NO2/c1-4-6-10(8(3)12)9(5-2)7-11/h4,9,11H,1,5-7H2,2-3H3/t9-/m0/s1
InChIKeyBPKIJVCKCYOPRK-VIFPVBQESA-N
XLogP0.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-prop-2-enylacetamide
CID 135072444
N-(1-hydroxybutan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 20255449
1-(1-Hydroxybutan-2-yl)pyrrole-2,5-dione
CID 22114709
N-(2-hydroxyethyl)-N-propan-2-ylprop-2-enamide
CID 43573264
2-[Bis(prop-2-enyl)amino]butan-1-ol
CID 54523860
N,N-bis(1-hydroxypropan-2-yl)prop-2-enamide
CID 87783665
N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 90250362
N-(1-hydroxypropan-2-yl)-N-methylprop-2-enamide
CID 104551583
N-ethyl-N-(1-hydroxybutan-2-yl)acetamide
CID 123155214
N-(1-hydroxy-3-methylbutan-2-yl)-N-prop-2-enylprop-2-enamide
CID 134607238
N-butan-2-yl-N-(2-hydroxypropyl)prop-2-enamide
CID 149814099

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-N-prop-2-enylacetamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-N-prop-2-enylacetamide (CID 135084116) is N-[(2S)-1-hydroxybutan-2-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-N-prop-2-enylacetamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-N-prop-2-enylacetamide is C=CCN(C(C)=O)[C@@H](CC)CO.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-N-prop-2-enylacetamide?
The InChIKey is BPKIJVCKCYOPRK-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-6-10(8(3)12)9(5-2)7-11/h4,9,11H,1,5-7H2,2-3H3/t9-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-N-prop-2-enylacetamide?
N-[(2S)-1-hydroxybutan-2-yl]-N-prop-2-enylacetamide has a molecular weight of 171.24 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 135084116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).