butane;propyl N-hydroxycarbamate

C8H19NO3 — CID 174767978

IUPACbutane;propyl N-hydroxycarbamate
SMILESCCCC.CCCOC(=O)NO
InChIInChI=1S/C4H9NO3.C4H10/c1-2-3-8-4(6)5-7;1-3-4-2/h7H,2-3H2,1H3,(H,5,6);3-4H2,1-2H3
InChIKeyKNDYYDHZEXGJES-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.32
Rot. Bonds3

About butane;propyl N-hydroxycarbamate

butane;propyl N-hydroxycarbamate (PubChem CID 174767978) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is butane;propyl N-hydroxycarbamate.

Molecular Properties

Compound Namebutane;propyl N-hydroxycarbamate
PubChem CID174767978
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Namebutane;propyl N-hydroxycarbamate
SMILESCCCC.CCCOC(=O)NO
InChIInChI=1S/C4H9NO3.C4H10/c1-2-3-8-4(6)5-7;1-3-4-2/h7H,2-3H2,1H3,(H,5,6);3-4H2,1-2H3
InChIKeyKNDYYDHZEXGJES-UHFFFAOYSA-N
XLogP2.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;propyl N-methylcarbamate
CID 142560404
CID 88818502
CID 88818502
propyl N-(2-chloroacetyl)carbamate
CID 57133881
propyl N-(dihydroxymethyl)carbamate
CID 174469306
propyl N-(methoxymethyl)carbamate
CID 142704391
propyl N-iodosulfonylcarbamate
CID 89299512
magnesium propyl carbonate
CID 22154995
calcium propyl carbonate
CID 158672692
propyl N-ethenylcarbamate;silane
CID 174610345
propyl N-(2-methylpropyl)carbamate
CID 91192078
propyl N-(tert-butylamino)carbamate
CID 150814794
propyl N-trimethoxysilylcarbamate
CID 91603083

Frequently Asked Questions

What is the IUPAC name of butane;propyl N-hydroxycarbamate?
The IUPAC name of butane;propyl N-hydroxycarbamate (CID 174767978) is butane;propyl N-hydroxycarbamate.
What is the SMILES notation for butane;propyl N-hydroxycarbamate?
The canonical SMILES for butane;propyl N-hydroxycarbamate is CCCC.CCCOC(=O)NO.
What is the InChIKey of butane;propyl N-hydroxycarbamate?
The InChIKey is KNDYYDHZEXGJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3.C4H10/c1-2-3-8-4(6)5-7;1-3-4-2/h7H,2-3H2,1H3,(H,5,6);3-4H2,1-2H3.
What are the key properties of butane;propyl N-hydroxycarbamate?
butane;propyl N-hydroxycarbamate has a molecular weight of 177.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;propyl N-hydroxycarbamate is sourced from PubChem (CID 174767978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).