N-(cyclopentylideneamino)-2-(4-nitrophenoxy)acetamide

C13H15N3O4 — CID 833120

IUPACN-(cyclopentylideneamino)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NN=C1CCCC1
InChIInChI=1S/C13H15N3O4/c17-13(15-14-10-3-1-2-4-10)9-20-12-7-5-11(6-8-12)16(18)19/h5-8H,1-4,9H2,(H,15,17)
InChIKeyPLAZHQZRBOCCCP-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.02
Rot. Bonds5

About N-(cyclopentylideneamino)-2-(4-nitrophenoxy)acetamide

N-(cyclopentylideneamino)-2-(4-nitrophenoxy)acetamide (PubChem CID 833120) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-2-(4-nitrophenoxy)acetamide
PubChem CID833120
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC NameN-(cyclopentylideneamino)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NN=C1CCCC1
InChIInChI=1S/C13H15N3O4/c17-13(15-14-10-3-1-2-4-10)9-20-12-7-5-11(6-8-12)16(18)19/h5-8H,1-4,9H2,(H,15,17)
InChIKeyPLAZHQZRBOCCCP-UHFFFAOYSA-N
XLogP2.02
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 N-(cyclopentylideneamino)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(cyclopentylideneamino)-2-(4-nitrophenoxy)acetamide (CID 833120) is N-(cyclopentylideneamino)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(cyclopentylideneamino)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(cyclopentylideneamino)-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)NN=C1CCCC1.
What is the InChIKey of N-(cyclopentylideneamino)-2-(4-nitrophenoxy)acetamide?
The InChIKey is PLAZHQZRBOCCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c17-13(15-14-10-3-1-2-4-10)9-20-12-7-5-11(6-8-12)16(18)19/h5-8H,1-4,9H2,(H,15,17).
What are the key properties of N-(cyclopentylideneamino)-2-(4-nitrophenoxy)acetamide?
N-(cyclopentylideneamino)-2-(4-nitrophenoxy)acetamide has a molecular weight of 277.28 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 833120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).