2-anilino-N-(cyclopentylideneamino)acetamide

C13H17N3O — CID 5219166

IUPAC2-anilino-N-(cyclopentylideneamino)acetamide
SMILESO=C(CNc1ccccc1)NN=C1CCCC1
InChIInChI=1S/C13H17N3O/c17-13(16-15-12-8-4-5-9-12)10-14-11-6-2-1-3-7-11/h1-3,6-7,14H,4-5,8-10H2,(H,16,17)
InChIKeyAJODUIJBQGUDDU-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.14
Rot. Bonds4

About 2-anilino-N-(cyclopentylideneamino)acetamide

2-anilino-N-(cyclopentylideneamino)acetamide (PubChem CID 5219166) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-anilino-N-(cyclopentylideneamino)acetamide.

Molecular Properties

Compound Name2-anilino-N-(cyclopentylideneamino)acetamide
PubChem CID5219166
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-anilino-N-(cyclopentylideneamino)acetamide
SMILESO=C(CNc1ccccc1)NN=C1CCCC1
InChIInChI=1S/C13H17N3O/c17-13(16-15-12-8-4-5-9-12)10-14-11-6-2-1-3-7-11/h1-3,6-7,14H,4-5,8-10H2,(H,16,17)
InChIKeyAJODUIJBQGUDDU-UHFFFAOYSA-N
XLogP2.14
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(cyclopentylideneamino)acetamide?
The IUPAC name of 2-anilino-N-(cyclopentylideneamino)acetamide (CID 5219166) is 2-anilino-N-(cyclopentylideneamino)acetamide.
What is the SMILES notation for 2-anilino-N-(cyclopentylideneamino)acetamide?
The canonical SMILES for 2-anilino-N-(cyclopentylideneamino)acetamide is O=C(CNc1ccccc1)NN=C1CCCC1.
What is the InChIKey of 2-anilino-N-(cyclopentylideneamino)acetamide?
The InChIKey is AJODUIJBQGUDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-13(16-15-12-8-4-5-9-12)10-14-11-6-2-1-3-7-11/h1-3,6-7,14H,4-5,8-10H2,(H,16,17).
What are the key properties of 2-anilino-N-(cyclopentylideneamino)acetamide?
2-anilino-N-(cyclopentylideneamino)acetamide has a molecular weight of 231.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(cyclopentylideneamino)acetamide is sourced from PubChem (CID 5219166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).