2,2-dimethyl-3-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclobutan-1-ol

C10H16N4O3 — CID 114630052

IUPAC2,2-dimethyl-3-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclobutan-1-ol
SMILESCn1cnc([N+](=O)[O-])c1NC1CC(O)C1(C)C
InChIInChI=1S/C10H16N4O3/c1-10(2)6(4-7(10)15)12-9-8(14(16)17)11-5-13(9)3/h5-7,12,15H,4H2,1-3H3
InChIKeyFHTBBKIDOUWPKN-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.90
Rot. Bonds3

About 2,2-dimethyl-3-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclobutan-1-ol

2,2-dimethyl-3-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclobutan-1-ol (PubChem CID 114630052) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclobutan-1-ol
PubChem CID114630052
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2,2-dimethyl-3-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclobutan-1-ol
SMILESCn1cnc([N+](=O)[O-])c1NC1CC(O)C1(C)C
InChIInChI=1S/C10H16N4O3/c1-10(2)6(4-7(10)15)12-9-8(14(16)17)11-5-13(9)3/h5-7,12,15H,4H2,1-3H3
InChIKeyFHTBBKIDOUWPKN-UHFFFAOYSA-N
XLogP0.90
TPSA93.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 2,2-dimethyl-3-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclobutan-1-ol (CID 114630052) is 2,2-dimethyl-3-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclobutan-1-ol is Cn1cnc([N+](=O)[O-])c1NC1CC(O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclobutan-1-ol?
The InChIKey is FHTBBKIDOUWPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-10(2)6(4-7(10)15)12-9-8(14(16)17)11-5-13(9)3/h5-7,12,15H,4H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclobutan-1-ol?
2,2-dimethyl-3-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclobutan-1-ol has a molecular weight of 240.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclobutan-1-ol is sourced from PubChem (CID 114630052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).