2-chloro-N-[(E)-pent-3-enyl]acetamide

C7H12ClNO — CID 115879893

IUPAC2-chloro-N-[(E)-pent-3-enyl]acetamide
SMILESC/C=C/CCNC(=O)CCl
InChIInChI=1S/C7H12ClNO/c1-2-3-4-5-9-7(10)6-8/h2-3H,4-6H2,1H3,(H,9,10)/b3-2+
InChIKeyOTALXCMNDGGGKJ-NSCUHMNNSA-N
MW161.63 g/mol
LogP1.31
Rot. Bonds4

About 2-chloro-N-[(E)-pent-3-enyl]acetamide

2-chloro-N-[(E)-pent-3-enyl]acetamide (PubChem CID 115879893) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is 2-chloro-N-[(E)-pent-3-enyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(E)-pent-3-enyl]acetamide
PubChem CID115879893
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name2-chloro-N-[(E)-pent-3-enyl]acetamide
SMILESC/C=C/CCNC(=O)CCl
InChIInChI=1S/C7H12ClNO/c1-2-3-4-5-9-7(10)6-8/h2-3H,4-6H2,1H3,(H,9,10)/b3-2+
InChIKeyOTALXCMNDGGGKJ-NSCUHMNNSA-N
XLogP1.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[(E)-pent-3-enyl]pentanamide
CID 107910578
2-(2-methoxyethoxy)-N-[(E)-pent-3-enyl]acetamide
CID 115628176
N,N'-bis[(E)-dec-8-enyl]hexanediamide
CID 101279972
N,N'-bis[(E)-undec-9-enyl]hexanediamide
CID 101279982
N-[(E)-pent-3-enyl]-3-phenylpropanamide
CID 101244691
ethyl N-[(E)-pent-3-enyl]carbamate
CID 115628418
N-[(E)-pent-3-enyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 115627905
N-[(E)-pent-3-enyl]-2-thiophen-3-ylacetamide
CID 115628042
(3S)-3-(aminomethyl)-5-methyl-N-[(E)-pent-3-enyl]hexanamide
CID 104861311
2-methyl-N-[(E)-pent-3-enyl]cyclopropane-1-carboxamide
CID 115627883
2-(3,5-dimethylphenoxy)-N-[(E)-pent-3-enyl]acetamide
CID 115628333
2-(2,5-dichlorophenyl)sulfanyl-N-[(E)-pent-3-enyl]acetamide
CID 115628169

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(E)-pent-3-enyl]acetamide?
The IUPAC name of 2-chloro-N-[(E)-pent-3-enyl]acetamide (CID 115879893) is 2-chloro-N-[(E)-pent-3-enyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(E)-pent-3-enyl]acetamide?
The canonical SMILES for 2-chloro-N-[(E)-pent-3-enyl]acetamide is C/C=C/CCNC(=O)CCl.
What is the InChIKey of 2-chloro-N-[(E)-pent-3-enyl]acetamide?
The InChIKey is OTALXCMNDGGGKJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H12ClNO/c1-2-3-4-5-9-7(10)6-8/h2-3H,4-6H2,1H3,(H,9,10)/b3-2+.
What are the key properties of 2-chloro-N-[(E)-pent-3-enyl]acetamide?
2-chloro-N-[(E)-pent-3-enyl]acetamide has a molecular weight of 161.63 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(E)-pent-3-enyl]acetamide is sourced from PubChem (CID 115879893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).