butyl carbamate;phosphane

C5H14NO2P — CID 174948771

IUPACbutyl carbamate;phosphane
SMILESCCCCOC(N)=O.P
InChIInChI=1S/C5H11NO2.H3P/c1-2-3-4-8-5(6)7;/h2-4H2,1H3,(H2,6,7);1H3
InChIKeyOSBGWJMBCSSWMJ-UHFFFAOYSA-N
MW151.15 g/mol
LogP0.94
Rot. Bonds3

About butyl carbamate;phosphane

butyl carbamate;phosphane (PubChem CID 174948771) has the molecular formula C5H14NO2P and a molecular weight of 151.15 g/mol. Its IUPAC name is butyl carbamate;phosphane.

Molecular Properties

Compound Namebutyl carbamate;phosphane
PubChem CID174948771
Molecular FormulaC5H14NO2P
Molecular Weight151.15 g/mol
Exact Mass151.08
IUPAC Namebutyl carbamate;phosphane
SMILESCCCCOC(N)=O.P
InChIInChI=1S/C5H11NO2.H3P/c1-2-3-4-8-5(6)7;/h2-4H2,1H3,(H2,6,7);1H3
InChIKeyOSBGWJMBCSSWMJ-UHFFFAOYSA-N
XLogP0.94
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.15
LogP ≤ 50.94
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

butyl carbamate;hydrochloride
CID 88609650
butyl carbamate;hydroiodide
CID 161347358
ethane;pentyl carbamate
CID 142339635
octacosyl carbamate
CID 160925840
butyl carbamate;prop-2-enamide
CID 174431220
propyl carbamate;dihydrochloride
CID 87576214
9-carbamoyloxynonyl carbamate
CID 87883969
3-oxoheptyl carbamate
CID 151371373
butyl hydrogen carbonate
CID 157271096
butyl pentyl carbonate
CID 545576
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
magnesium;dibutyl carbonate;hydride
CID 174500135

Frequently Asked Questions

What is the IUPAC name of butyl carbamate;phosphane?
The IUPAC name of butyl carbamate;phosphane (CID 174948771) is butyl carbamate;phosphane.
What is the SMILES notation for butyl carbamate;phosphane?
The canonical SMILES for butyl carbamate;phosphane is CCCCOC(N)=O.P.
What is the InChIKey of butyl carbamate;phosphane?
The InChIKey is OSBGWJMBCSSWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.H3P/c1-2-3-4-8-5(6)7;/h2-4H2,1H3,(H2,6,7);1H3.
What are the key properties of butyl carbamate;phosphane?
butyl carbamate;phosphane has a molecular weight of 151.15 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl carbamate;phosphane is sourced from PubChem (CID 174948771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).