carbamoyloxy-methyl-propan-2-ylideneazanium

C5H11N2O2+ — CID 87661891

IUPACcarbamoyloxy-methyl-propan-2-ylideneazanium
SMILESCC(C)=[N+](C)OC(N)=O
InChIInChI=1S/C5H10N2O2/c1-4(2)7(3)9-5(6)8/h1-3H3,(H-,6,8)/p+1
InChIKeyZVZSLCVIRKYXOZ-UHFFFAOYSA-O
MW131.16 g/mol
LogP0.12
Rot. Bonds1

About carbamoyloxy-methyl-propan-2-ylideneazanium

carbamoyloxy-methyl-propan-2-ylideneazanium (PubChem CID 87661891) has the molecular formula C5H11N2O2+ and a molecular weight of 131.16 g/mol. Its IUPAC name is carbamoyloxy-methyl-propan-2-ylideneazanium.

Molecular Properties

Compound Namecarbamoyloxy-methyl-propan-2-ylideneazanium
PubChem CID87661891
Molecular FormulaC5H11N2O2+
Molecular Weight131.16 g/mol
Exact Mass131.08
IUPAC Namecarbamoyloxy-methyl-propan-2-ylideneazanium
SMILESCC(C)=[N+](C)OC(N)=O
InChIInChI=1S/C5H10N2O2/c1-4(2)7(3)9-5(6)8/h1-3H3,(H-,6,8)/p+1
InChIKeyZVZSLCVIRKYXOZ-UHFFFAOYSA-O
XLogP0.12
TPSA55.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze carbamoyloxy-methyl-propan-2-ylideneazanium 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 carbamoyloxy-methyl-propan-2-ylideneazanium?
The IUPAC name of carbamoyloxy-methyl-propan-2-ylideneazanium (CID 87661891) is carbamoyloxy-methyl-propan-2-ylideneazanium.
What is the SMILES notation for carbamoyloxy-methyl-propan-2-ylideneazanium?
The canonical SMILES for carbamoyloxy-methyl-propan-2-ylideneazanium is CC(C)=[N+](C)OC(N)=O.
What is the InChIKey of carbamoyloxy-methyl-propan-2-ylideneazanium?
The InChIKey is ZVZSLCVIRKYXOZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H10N2O2/c1-4(2)7(3)9-5(6)8/h1-3H3,(H-,6,8)/p+1.
What are the key properties of carbamoyloxy-methyl-propan-2-ylideneazanium?
carbamoyloxy-methyl-propan-2-ylideneazanium has a molecular weight of 131.16 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyloxy-methyl-propan-2-ylideneazanium is sourced from PubChem (CID 87661891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).