2-(4-chlorophenyl)-N-[(Z)-2,3-dihydropyrrolizin-1-ylideneamino]acetamide

C15H14ClN3O — CID 75362257

IUPAC2-(4-chlorophenyl)-N-[(Z)-2,3-dihydropyrrolizin-1-ylideneamino]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N/N=C1/CCn2cccc21
InChIInChI=1S/C15H14ClN3O/c16-12-5-3-11(4-6-12)10-15(20)18-17-13-7-9-19-8-1-2-14(13)19/h1-6,8H,7,9-10H2,(H,18,20)/b17-13-
InChIKeySJJNPUNVXGXOKE-LGMDPLHJSA-N
MW287.75 g/mol
LogP2.61
Rot. Bonds3

About 2-(4-chlorophenyl)-N-[(Z)-2,3-dihydropyrrolizin-1-ylideneamino]acetamide

2-(4-chlorophenyl)-N-[(Z)-2,3-dihydropyrrolizin-1-ylideneamino]acetamide (PubChem CID 75362257) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(Z)-2,3-dihydropyrrolizin-1-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(Z)-2,3-dihydropyrrolizin-1-ylideneamino]acetamide
PubChem CID75362257
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name2-(4-chlorophenyl)-N-[(Z)-2,3-dihydropyrrolizin-1-ylideneamino]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N/N=C1/CCn2cccc21
InChIInChI=1S/C15H14ClN3O/c16-12-5-3-11(4-6-12)10-15(20)18-17-13-7-9-19-8-1-2-14(13)19/h1-6,8H,7,9-10H2,(H,18,20)/b17-13-
InChIKeySJJNPUNVXGXOKE-LGMDPLHJSA-N
XLogP2.61
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 4938145
2-(4-chlorophenyl)-N-[(E)-(4-oxo-4-pyrrolidin-1-ylbutan-2-ylidene)amino]acetamide
CID 171980680
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
2-(4-chlorophenyl)sulfanyl-N-(cyclopentylideneamino)acetamide
CID 9121559
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide
CID 113273831
2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6390102
N-[(E)-(1-amino-2-cyanoethylidene)amino]-2-(4-chlorophenyl)acetamide
CID 10634467
2-(4-chlorophenyl)sulfanyl-N-(cyclooctylideneamino)acetamide
CID 722531
2-(4-chlorophenyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135531709
N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide
CID 4938227
2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 42266128
2-(4-chlorophenyl)-N-(4-phenylpiperazine-1-carbothioyl)acetamide
CID 17175932

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(Z)-2,3-dihydropyrrolizin-1-ylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(Z)-2,3-dihydropyrrolizin-1-ylideneamino]acetamide (CID 75362257) is 2-(4-chlorophenyl)-N-[(Z)-2,3-dihydropyrrolizin-1-ylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(Z)-2,3-dihydropyrrolizin-1-ylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(Z)-2,3-dihydropyrrolizin-1-ylideneamino]acetamide is O=C(Cc1ccc(Cl)cc1)N/N=C1/CCn2cccc21.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(Z)-2,3-dihydropyrrolizin-1-ylideneamino]acetamide?
The InChIKey is SJJNPUNVXGXOKE-LGMDPLHJSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-12-5-3-11(4-6-12)10-15(20)18-17-13-7-9-19-8-1-2-14(13)19/h1-6,8H,7,9-10H2,(H,18,20)/b17-13-.
What are the key properties of 2-(4-chlorophenyl)-N-[(Z)-2,3-dihydropyrrolizin-1-ylideneamino]acetamide?
2-(4-chlorophenyl)-N-[(Z)-2,3-dihydropyrrolizin-1-ylideneamino]acetamide has a molecular weight of 287.75 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(Z)-2,3-dihydropyrrolizin-1-ylideneamino]acetamide is sourced from PubChem (CID 75362257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).