1-(4-methyl-4-nitropentyl)azetidine-3-carboxamide

C10H19N3O3 — CID 162460107

IUPAC1-(4-methyl-4-nitropentyl)azetidine-3-carboxamide
SMILESCC(C)(CCCN1CC(C(N)=O)C1)[N+](=O)[O-]
InChIInChI=1S/C10H19N3O3/c1-10(2,13(15)16)4-3-5-12-6-8(7-12)9(11)14/h8H,3-7H2,1-2H3,(H2,11,14)
InChIKeyPYCIUIAUEJEFEF-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.24
Rot. Bonds6

About 1-(4-methyl-4-nitropentyl)azetidine-3-carboxamide

1-(4-methyl-4-nitropentyl)azetidine-3-carboxamide (PubChem CID 162460107) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(4-methyl-4-nitropentyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methyl-4-nitropentyl)azetidine-3-carboxamide
PubChem CID162460107
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name1-(4-methyl-4-nitropentyl)azetidine-3-carboxamide
SMILESCC(C)(CCCN1CC(C(N)=O)C1)[N+](=O)[O-]
InChIInChI=1S/C10H19N3O3/c1-10(2,13(15)16)4-3-5-12-6-8(7-12)9(11)14/h8H,3-7H2,1-2H3,(H2,11,14)
InChIKeyPYCIUIAUEJEFEF-UHFFFAOYSA-N
XLogP0.24
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-methyl-4-nitropentyl)azetidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-4-nitropentyl)azetidine-3-carboxamide?
The IUPAC name of 1-(4-methyl-4-nitropentyl)azetidine-3-carboxamide (CID 162460107) is 1-(4-methyl-4-nitropentyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(4-methyl-4-nitropentyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(4-methyl-4-nitropentyl)azetidine-3-carboxamide is CC(C)(CCCN1CC(C(N)=O)C1)[N+](=O)[O-].
What is the InChIKey of 1-(4-methyl-4-nitropentyl)azetidine-3-carboxamide?
The InChIKey is PYCIUIAUEJEFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-10(2,13(15)16)4-3-5-12-6-8(7-12)9(11)14/h8H,3-7H2,1-2H3,(H2,11,14).
What are the key properties of 1-(4-methyl-4-nitropentyl)azetidine-3-carboxamide?
1-(4-methyl-4-nitropentyl)azetidine-3-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-4-nitropentyl)azetidine-3-carboxamide is sourced from PubChem (CID 162460107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).