N-[(E,2R)-1-hydroxypent-3-en-2-yl]-2,2-dimethylpropanamide

C10H19NO2 — CID 166894051

IUPACN-[(E,2R)-1-hydroxypent-3-en-2-yl]-2,2-dimethylpropanamide
SMILESC/C=C/[C@H](CO)NC(=O)C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-6-8(7-12)11-9(13)10(2,3)4/h5-6,8,12H,7H2,1-4H3,(H,11,13)/b6-5+/t8-/m1/s1
InChIKeyFWBXDAIIIDLEMD-HQZHTGGTSA-N
MW185.27 g/mol
LogP1.09
Rot. Bonds3

About N-[(E,2R)-1-hydroxypent-3-en-2-yl]-2,2-dimethylpropanamide

N-[(E,2R)-1-hydroxypent-3-en-2-yl]-2,2-dimethylpropanamide (PubChem CID 166894051) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[(E,2R)-1-hydroxypent-3-en-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(E,2R)-1-hydroxypent-3-en-2-yl]-2,2-dimethylpropanamide
PubChem CID166894051
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-[(E,2R)-1-hydroxypent-3-en-2-yl]-2,2-dimethylpropanamide
SMILESC/C=C/[C@H](CO)NC(=O)C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-6-8(7-12)11-9(13)10(2,3)4/h5-6,8,12H,7H2,1-4H3,(H,11,13)/b6-5+/t8-/m1/s1
InChIKeyFWBXDAIIIDLEMD-HQZHTGGTSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[(E,2R)-1-hydroxypent-3-en-2-yl]acetamide
CID 124702545
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide
CID 39086823
N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide
CID 115734890
tert-butyl N-[(E,3S)-hex-4-en-3-yl]carbamate
CID 102602622
tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate
CID 45091925
4-ethenyl-1,3-oxazolidin-2-one;N-(1-hydroxybut-3-en-2-yl)-2,2-dimethylpropanamide
CID 159863647
(2R)-2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-3-hydroxypropanoic acid
CID 80750475
N-(4-chlorobutan-2-yl)-2,2-dimethylpropanamide
CID 83178433
tert-butyl N-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate
CID 130003566
tert-butyl N-[1-(methylamino)pent-3-en-2-yl]carbamate
CID 142556897
N-but-3-en-2-yl-2,2-dimethylpropanamide
CID 112698624
2-[(2-methylpropan-2-yl)oxy]pent-3-en-1-ol
CID 141066884

Frequently Asked Questions

What is the IUPAC name of N-[(E,2R)-1-hydroxypent-3-en-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(E,2R)-1-hydroxypent-3-en-2-yl]-2,2-dimethylpropanamide (CID 166894051) is N-[(E,2R)-1-hydroxypent-3-en-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(E,2R)-1-hydroxypent-3-en-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(E,2R)-1-hydroxypent-3-en-2-yl]-2,2-dimethylpropanamide is C/C=C/[C@H](CO)NC(=O)C(C)(C)C.
What is the InChIKey of N-[(E,2R)-1-hydroxypent-3-en-2-yl]-2,2-dimethylpropanamide?
The InChIKey is FWBXDAIIIDLEMD-HQZHTGGTSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-6-8(7-12)11-9(13)10(2,3)4/h5-6,8,12H,7H2,1-4H3,(H,11,13)/b6-5+/t8-/m1/s1.
What are the key properties of N-[(E,2R)-1-hydroxypent-3-en-2-yl]-2,2-dimethylpropanamide?
N-[(E,2R)-1-hydroxypent-3-en-2-yl]-2,2-dimethylpropanamide has a molecular weight of 185.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2R)-1-hydroxypent-3-en-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 166894051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).