N-[(E)-1-(5-nitro-1H-pyrrol-2-yl)ethylideneamino]pentanamide

C11H16N4O3 — CID 137173501

IUPACN-[(E)-1-(5-nitro-1H-pyrrol-2-yl)ethylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])[nH]1
InChIInChI=1S/C11H16N4O3/c1-3-4-5-11(16)14-13-8(2)9-6-7-10(12-9)15(17)18/h6-7,12H,3-5H2,1-2H3,(H,14,16)/b13-8+
InChIKeyFZNGDBAIKXUCRB-MDWZMJQESA-N
MW252.27 g/mol
LogP1.95
Rot. Bonds6

About N-[(E)-1-(5-nitro-1H-pyrrol-2-yl)ethylideneamino]pentanamide

N-[(E)-1-(5-nitro-1H-pyrrol-2-yl)ethylideneamino]pentanamide (PubChem CID 137173501) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[(E)-1-(5-nitro-1H-pyrrol-2-yl)ethylideneamino]pentanamide.

Molecular Properties

Compound NameN-[(E)-1-(5-nitro-1H-pyrrol-2-yl)ethylideneamino]pentanamide
PubChem CID137173501
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-[(E)-1-(5-nitro-1H-pyrrol-2-yl)ethylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])[nH]1
InChIInChI=1S/C11H16N4O3/c1-3-4-5-11(16)14-13-8(2)9-6-7-10(12-9)15(17)18/h6-7,12H,3-5H2,1-2H3,(H,14,16)/b13-8+
InChIKeyFZNGDBAIKXUCRB-MDWZMJQESA-N
XLogP1.95
TPSA100.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(E)-1-(5-nitro-1H-pyrrol-2-yl)ethylideneamino]pentanamide?
The IUPAC name of N-[(E)-1-(5-nitro-1H-pyrrol-2-yl)ethylideneamino]pentanamide (CID 137173501) is N-[(E)-1-(5-nitro-1H-pyrrol-2-yl)ethylideneamino]pentanamide.
What is the SMILES notation for N-[(E)-1-(5-nitro-1H-pyrrol-2-yl)ethylideneamino]pentanamide?
The canonical SMILES for N-[(E)-1-(5-nitro-1H-pyrrol-2-yl)ethylideneamino]pentanamide is CCCCC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])[nH]1.
What is the InChIKey of N-[(E)-1-(5-nitro-1H-pyrrol-2-yl)ethylideneamino]pentanamide?
The InChIKey is FZNGDBAIKXUCRB-MDWZMJQESA-N. The full InChI is InChI=1S/C11H16N4O3/c1-3-4-5-11(16)14-13-8(2)9-6-7-10(12-9)15(17)18/h6-7,12H,3-5H2,1-2H3,(H,14,16)/b13-8+.
What are the key properties of N-[(E)-1-(5-nitro-1H-pyrrol-2-yl)ethylideneamino]pentanamide?
N-[(E)-1-(5-nitro-1H-pyrrol-2-yl)ethylideneamino]pentanamide has a molecular weight of 252.27 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-nitro-1H-pyrrol-2-yl)ethylideneamino]pentanamide is sourced from PubChem (CID 137173501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).