N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]acetamide

C13H19N3O — CID 50854394

IUPACN-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1ccn(C2CCCCC2)c1
InChIInChI=1S/C13H19N3O/c1-11(17)15-14-9-12-7-8-16(10-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H,15,17)/b14-9-
InChIKeyFOGGVDSJWGRLIK-ZROIWOOFSA-N
MW233.31 g/mol
LogP2.46
Rot. Bonds3

About N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]acetamide

N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]acetamide (PubChem CID 50854394) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]acetamide
PubChem CID50854394
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1ccn(C2CCCCC2)c1
InChIInChI=1S/C13H19N3O/c1-11(17)15-14-9-12-7-8-16(10-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H,15,17)/b14-9-
InChIKeyFOGGVDSJWGRLIK-ZROIWOOFSA-N
XLogP2.46
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-phenylacetamide
CID 50854504
N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]pyridine-4-carboxamide
CID 50854256
N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 50854369
N-[(E)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 50854462
2,4-dichloro-N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]benzamide
CID 50854202
N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 50854226
N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
CID 50854136
N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-[3-(dimethylamino)phenoxy]acetamide
CID 50854108
2-(3-bromophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide
CID 50854100
2-(3-chlorophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide
CID 50854147
N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]acetamide
CID 50854683
N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2,4-dinitroaniline
CID 50854384

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]acetamide?
The IUPAC name of N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]acetamide (CID 50854394) is N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]acetamide is CC(=O)N/N=C\c1ccn(C2CCCCC2)c1.
What is the InChIKey of N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]acetamide?
The InChIKey is FOGGVDSJWGRLIK-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H19N3O/c1-11(17)15-14-9-12-7-8-16(10-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H,15,17)/b14-9-.
What are the key properties of N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]acetamide?
N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]acetamide has a molecular weight of 233.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 50854394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).