N-[(E)-3-chloroprop-2-enoxy]acetamide

C5H8ClNO2 — CID 10888077

IUPACN-[(E)-3-chloroprop-2-enoxy]acetamide
SMILESCC(=O)NOC/C=C/Cl
InChIInChI=1S/C5H8ClNO2/c1-5(8)7-9-4-2-3-6/h2-3H,4H2,1H3,(H,7,8)/b3-2+
InChIKeyZIDBHAWAHLJFHP-NSCUHMNNSA-N
MW149.58 g/mol
LogP0.81
Rot. Bonds3

About N-[(E)-3-chloroprop-2-enoxy]acetamide

N-[(E)-3-chloroprop-2-enoxy]acetamide (PubChem CID 10888077) has the molecular formula C5H8ClNO2 and a molecular weight of 149.58 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enoxy]acetamide.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enoxy]acetamide
PubChem CID10888077
Molecular FormulaC5H8ClNO2
Molecular Weight149.58 g/mol
Exact Mass149.02
IUPAC NameN-[(E)-3-chloroprop-2-enoxy]acetamide
SMILESCC(=O)NOC/C=C/Cl
InChIInChI=1S/C5H8ClNO2/c1-5(8)7-9-4-2-3-6/h2-3H,4H2,1H3,(H,7,8)/b3-2+
InChIKeyZIDBHAWAHLJFHP-NSCUHMNNSA-N
XLogP0.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[(E)-3-chloroprop-2-enoxy]prop-2-ynamide
CID 131247786
methyl 5-chloro-2-methylpent-4-enoate
CID 123627681
[(Z)-3-chloroprop-2-enyl] prop-2-enoate
CID 5354525
O-[(Z)-3-chloroprop-2-enyl]hydroxylamine
CID 13282637
N-(3-chloroprop-2-enoxy)-1-(3-methylphenyl)ethenamine
CID 57046392
(2Z)-2-[(E)-3-chloroprop-2-enoxy]iminopropanal
CID 141216845
N-(4-bromobutoxy)acetamide
CID 90951979
N-[(Z)-2-chloroethenyl]acetamide
CID 55298580
[(E)-3-chloroprop-2-enyl] formate
CID 19841665
[3-chloroprop-2-enyl(hydroxy)amino] acetate
CID 172737385
prop-2-enyl (2S)-5-chloro-2-propan-2-ylpent-4-enoate
CID 87471374
(E)-5-chloro-2-methylpent-4-enoic acid
CID 107900872

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enoxy]acetamide?
The IUPAC name of N-[(E)-3-chloroprop-2-enoxy]acetamide (CID 10888077) is N-[(E)-3-chloroprop-2-enoxy]acetamide.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enoxy]acetamide?
The canonical SMILES for N-[(E)-3-chloroprop-2-enoxy]acetamide is CC(=O)NOC/C=C/Cl.
What is the InChIKey of N-[(E)-3-chloroprop-2-enoxy]acetamide?
The InChIKey is ZIDBHAWAHLJFHP-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H8ClNO2/c1-5(8)7-9-4-2-3-6/h2-3H,4H2,1H3,(H,7,8)/b3-2+.
What are the key properties of N-[(E)-3-chloroprop-2-enoxy]acetamide?
N-[(E)-3-chloroprop-2-enoxy]acetamide has a molecular weight of 149.58 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-chloroprop-2-enoxy]acetamide is sourced from PubChem (CID 10888077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).