phosphanyl N-butylcarbamate

C5H12NO2P — CID 89204581

IUPACphosphanyl N-butylcarbamate
SMILESCCCCNC(=O)OP
InChIInChI=1S/C5H12NO2P/c1-2-3-4-6-5(7)8-9/h2-4,9H2,1H3,(H,6,7)
InChIKeyJFBYSGZGAVQIMP-UHFFFAOYSA-N
MW149.13 g/mol
LogP1.30
Rot. Bonds3

About phosphanyl N-butylcarbamate

phosphanyl N-butylcarbamate (PubChem CID 89204581) has the molecular formula C5H12NO2P and a molecular weight of 149.13 g/mol. Its IUPAC name is phosphanyl N-butylcarbamate.

Molecular Properties

Compound Namephosphanyl N-butylcarbamate
PubChem CID89204581
Molecular FormulaC5H12NO2P
Molecular Weight149.13 g/mol
Exact Mass149.06
IUPAC Namephosphanyl N-butylcarbamate
SMILESCCCCNC(=O)OP
InChIInChI=1S/C5H12NO2P/c1-2-3-4-6-5(7)8-9/h2-4,9H2,1H3,(H,6,7)
InChIKeyJFBYSGZGAVQIMP-UHFFFAOYSA-N
XLogP1.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.13
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

aminomethyl N-butylcarbamate
CID 139491046
cyclopropyl N-butylcarbamate
CID 165447718
phosphono N-butylcarbamate
CID 154142807
tert-butyl N-butylcarbamate;methane
CID 153346289
N-butyl-1-phosphanylformamide
CID 89204579
methyl N-nonylcarbamate
CID 5102101
butyl N-butylcarbamate;molecular hydrogen
CID 142164887
1-(methylamino)propan-2-yl N-butylcarbamate
CID 79338018
[4-[4-(butylcarbamoyloxy)phenyl]phenyl] N-butylcarbamate
CID 100978382
nonylcarbamoperoxoic acid
CID 140999734
amino N-pentylcarbamate
CID 87397923
2-iodopropyl N-butylcarbamate
CID 175153431

Frequently Asked Questions

What is the IUPAC name of phosphanyl N-butylcarbamate?
The IUPAC name of phosphanyl N-butylcarbamate (CID 89204581) is phosphanyl N-butylcarbamate.
What is the SMILES notation for phosphanyl N-butylcarbamate?
The canonical SMILES for phosphanyl N-butylcarbamate is CCCCNC(=O)OP.
What is the InChIKey of phosphanyl N-butylcarbamate?
The InChIKey is JFBYSGZGAVQIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO2P/c1-2-3-4-6-5(7)8-9/h2-4,9H2,1H3,(H,6,7).
What are the key properties of phosphanyl N-butylcarbamate?
phosphanyl N-butylcarbamate has a molecular weight of 149.13 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl N-butylcarbamate is sourced from PubChem (CID 89204581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).