2-chloro-N-[(2S)-1-hydroxybut-3-en-2-yl]acetamide

C6H10ClNO2 — CID 154931454

IUPAC2-chloro-N-[(2S)-1-hydroxybut-3-en-2-yl]acetamide
SMILESC=C[C@@H](CO)NC(=O)CCl
InChIInChI=1S/C6H10ClNO2/c1-2-5(4-9)8-6(10)3-7/h2,5,9H,1,3-4H2,(H,8,10)/t5-/m0/s1
InChIKeyLZSQXVKIXIZFHN-YFKPBYRVSA-N
MW163.60 g/mol
LogP-0.11
Rot. Bonds4

About 2-chloro-N-[(2S)-1-hydroxybut-3-en-2-yl]acetamide

2-chloro-N-[(2S)-1-hydroxybut-3-en-2-yl]acetamide (PubChem CID 154931454) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-hydroxybut-3-en-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-hydroxybut-3-en-2-yl]acetamide
PubChem CID154931454
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name2-chloro-N-[(2S)-1-hydroxybut-3-en-2-yl]acetamide
SMILESC=C[C@@H](CO)NC(=O)CCl
InChIInChI=1S/C6H10ClNO2/c1-2-5(4-9)8-6(10)3-7/h2,5,9H,1,3-4H2,(H,8,10)/t5-/m0/s1
InChIKeyLZSQXVKIXIZFHN-YFKPBYRVSA-N
XLogP-0.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxybut-3-en-2-ylurea
CID 88808839
methyl N-[(2S)-1-hydroxybut-3-en-2-yl]carbamate
CID 55299333
2-chloro-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 55298424
2-(2-hydroxyethylamino)but-3-en-1-ol
CID 19018089
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 12032305
2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79249423
N-hexa-1,5-dien-3-ylbut-3-enamide
CID 173296191
N-hex-1-en-3-ylpropanamide
CID 54131480
2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide
CID 155389000
methyl 2-[(2-chloroacetyl)amino]-3-hydroxypropanoate
CID 43311461
2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide
CID 87981003
2-chloro-N-[1-[1-[(2-chloroacetyl)amino]ethoxy]ethyl]acetamide
CID 88772839

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-hydroxybut-3-en-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[(2S)-1-hydroxybut-3-en-2-yl]acetamide (CID 154931454) is 2-chloro-N-[(2S)-1-hydroxybut-3-en-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-hydroxybut-3-en-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-hydroxybut-3-en-2-yl]acetamide is C=C[C@@H](CO)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[(2S)-1-hydroxybut-3-en-2-yl]acetamide?
The InChIKey is LZSQXVKIXIZFHN-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10ClNO2/c1-2-5(4-9)8-6(10)3-7/h2,5,9H,1,3-4H2,(H,8,10)/t5-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-hydroxybut-3-en-2-yl]acetamide?
2-chloro-N-[(2S)-1-hydroxybut-3-en-2-yl]acetamide has a molecular weight of 163.60 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-hydroxybut-3-en-2-yl]acetamide is sourced from PubChem (CID 154931454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).