propyl N-hydroxy-N-(7-oxooxepan-2-yl)carbamate

C10H17NO5 — CID 18415093

IUPACpropyl N-hydroxy-N-(7-oxooxepan-2-yl)carbamate
SMILESCCCOC(=O)N(O)C1CCCCC(=O)O1
InChIInChI=1S/C10H17NO5/c1-2-7-15-10(13)11(14)8-5-3-4-6-9(12)16-8/h8,14H,2-7H2,1H3
InChIKeyLKCIGZOPHOXQDT-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.67
Rot. Bonds3

About propyl N-hydroxy-N-(7-oxooxepan-2-yl)carbamate

propyl N-hydroxy-N-(7-oxooxepan-2-yl)carbamate (PubChem CID 18415093) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is propyl N-hydroxy-N-(7-oxooxepan-2-yl)carbamate.

Molecular Properties

Compound Namepropyl N-hydroxy-N-(7-oxooxepan-2-yl)carbamate
PubChem CID18415093
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Namepropyl N-hydroxy-N-(7-oxooxepan-2-yl)carbamate
SMILESCCCOC(=O)N(O)C1CCCCC(=O)O1
InChIInChI=1S/C10H17NO5/c1-2-7-15-10(13)11(14)8-5-3-4-6-9(12)16-8/h8,14H,2-7H2,1H3
InChIKeyLKCIGZOPHOXQDT-UHFFFAOYSA-N
XLogP1.67
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze propyl N-hydroxy-N-(7-oxooxepan-2-yl)carbamate 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 propyl N-hydroxy-N-(7-oxooxepan-2-yl)carbamate?
The IUPAC name of propyl N-hydroxy-N-(7-oxooxepan-2-yl)carbamate (CID 18415093) is propyl N-hydroxy-N-(7-oxooxepan-2-yl)carbamate.
What is the SMILES notation for propyl N-hydroxy-N-(7-oxooxepan-2-yl)carbamate?
The canonical SMILES for propyl N-hydroxy-N-(7-oxooxepan-2-yl)carbamate is CCCOC(=O)N(O)C1CCCCC(=O)O1.
What is the InChIKey of propyl N-hydroxy-N-(7-oxooxepan-2-yl)carbamate?
The InChIKey is LKCIGZOPHOXQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-2-7-15-10(13)11(14)8-5-3-4-6-9(12)16-8/h8,14H,2-7H2,1H3.
What are the key properties of propyl N-hydroxy-N-(7-oxooxepan-2-yl)carbamate?
propyl N-hydroxy-N-(7-oxooxepan-2-yl)carbamate has a molecular weight of 231.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-hydroxy-N-(7-oxooxepan-2-yl)carbamate is sourced from PubChem (CID 18415093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).