N-(1H-pyrrol-2-ylmethylideneamino)pentanamide

C10H15N3O — CID 4048770

IUPACN-(1H-pyrrol-2-ylmethylideneamino)pentanamide
SMILESCCCCC(=O)NN=Cc1ccc[nH]1
InChIInChI=1S/C10H15N3O/c1-2-3-6-10(14)13-12-8-9-5-4-7-11-9/h4-5,7-8,11H,2-3,6H2,1H3,(H,13,14)
InChIKeyZQJHRNYXBGIESK-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.65
Rot. Bonds5

About N-(1H-pyrrol-2-ylmethylideneamino)pentanamide

N-(1H-pyrrol-2-ylmethylideneamino)pentanamide (PubChem CID 4048770) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-(1H-pyrrol-2-ylmethylideneamino)pentanamide.

Molecular Properties

Compound NameN-(1H-pyrrol-2-ylmethylideneamino)pentanamide
PubChem CID4048770
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-(1H-pyrrol-2-ylmethylideneamino)pentanamide
SMILESCCCCC(=O)NN=Cc1ccc[nH]1
InChIInChI=1S/C10H15N3O/c1-2-3-6-10(14)13-12-8-9-5-4-7-11-9/h4-5,7-8,11H,2-3,6H2,1H3,(H,13,14)
InChIKeyZQJHRNYXBGIESK-UHFFFAOYSA-N
XLogP1.65
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(E)-1H-pyrrol-2-ylmethylideneamino]hexanamide
CID 135716593
N-(1H-pyrrol-2-ylmethylideneamino)decanamide
CID 4196902
N-[(E)-1H-pyrrol-2-ylmethylideneamino]-N'-[(Z)-1H-pyrrol-2-ylmethylideneamino]butanediamide
CID 136826339
1-(4-butoxyphenyl)-3-[(E)-1H-pyrrol-2-ylmethylideneamino]urea
CID 135770473
2-anilino-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 135641150
methyl N-[(E)-1H-pyrrol-2-ylmethylideneamino]carbamate
CID 135644237
1-ethyl-3-[(E)-1H-pyrrol-2-ylmethylideneamino]thiourea
CID 135468189
2-(4-methoxyphenyl)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide
CID 969187
4-hexoxy-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
CID 4930621
2-(2,6-dimethylphenoxy)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 136661504
2-(4-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide
CID 914097
2-(2,6-dimethylphenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 135588975

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-2-ylmethylideneamino)pentanamide?
The IUPAC name of N-(1H-pyrrol-2-ylmethylideneamino)pentanamide (CID 4048770) is N-(1H-pyrrol-2-ylmethylideneamino)pentanamide.
What is the SMILES notation for N-(1H-pyrrol-2-ylmethylideneamino)pentanamide?
The canonical SMILES for N-(1H-pyrrol-2-ylmethylideneamino)pentanamide is CCCCC(=O)NN=Cc1ccc[nH]1.
What is the InChIKey of N-(1H-pyrrol-2-ylmethylideneamino)pentanamide?
The InChIKey is ZQJHRNYXBGIESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-3-6-10(14)13-12-8-9-5-4-7-11-9/h4-5,7-8,11H,2-3,6H2,1H3,(H,13,14).
What are the key properties of N-(1H-pyrrol-2-ylmethylideneamino)pentanamide?
N-(1H-pyrrol-2-ylmethylideneamino)pentanamide has a molecular weight of 193.25 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-2-ylmethylideneamino)pentanamide is sourced from PubChem (CID 4048770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).