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

C13H13N3O — CID 50854683

IUPACN-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1ccn(-c2ccccc2)c1
InChIInChI=1S/C13H13N3O/c1-11(17)15-14-9-12-7-8-16(10-12)13-5-3-2-4-6-13/h2-10H,1H3,(H,15,17)/b14-9-
InChIKeyXRQHOMIEMAQPCE-ZROIWOOFSA-N
MW227.27 g/mol
LogP1.95
Rot. Bonds3

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

N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]acetamide (PubChem CID 50854683) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]acetamide
PubChem CID50854683
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1ccn(-c2ccccc2)c1
InChIInChI=1S/C13H13N3O/c1-11(17)15-14-9-12-7-8-16(10-12)13-5-3-2-4-6-13/h2-10H,1H3,(H,15,17)/b14-9-
InChIKeyXRQHOMIEMAQPCE-ZROIWOOFSA-N
XLogP1.95
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.95
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

4-hydroxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50854705
2-chloro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50854715
4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50855117
N-[(E)-(1-phenylpyrrol-3-yl)methylideneamino]-3-pyrrol-1-ylbenzamide
CID 50854816
3-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]naphthalene-2-carboxamide
CID 50855396
N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]acetamide
CID 50854394
N-[(E)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]thiophene-2-carboxamide
CID 50855304
N-[(4-aminophenyl)methylideneamino]acetamide
CID 123694049
(1-phenylpyrrol-3-yl) acetate
CID 174955696
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide;hydrate
CID 139076968
5-nitro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]pyridin-2-amine
CID 50854673
N-[(Z)-(4-pyridin-2-ylphenyl)methylideneamino]acetamide
CID 54182918

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]acetamide?
The IUPAC name of N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]acetamide (CID 50854683) is N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]acetamide is CC(=O)N/N=C\c1ccn(-c2ccccc2)c1.
What is the InChIKey of N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]acetamide?
The InChIKey is XRQHOMIEMAQPCE-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H13N3O/c1-11(17)15-14-9-12-7-8-16(10-12)13-5-3-2-4-6-13/h2-10H,1H3,(H,15,17)/b14-9-.
What are the key properties of N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]acetamide?
N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]acetamide has a molecular weight of 227.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 50854683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).