butyl carbamate;hydroiodide

C5H12INO2 — CID 161347358

IUPACbutyl carbamate;hydroiodide
SMILESCCCCOC(N)=O.I
InChIInChI=1S/C5H11NO2.HI/c1-2-3-4-8-5(6)7;/h2-4H2,1H3,(H2,6,7);1H
InChIKeyDSFKZDADTRRFTJ-UHFFFAOYSA-N
MW245.06 g/mol
LogP1.50
Rot. Bonds3

About butyl carbamate;hydroiodide

butyl carbamate;hydroiodide (PubChem CID 161347358) has the molecular formula C5H12INO2 and a molecular weight of 245.06 g/mol. Its IUPAC name is butyl carbamate;hydroiodide.

Molecular Properties

Compound Namebutyl carbamate;hydroiodide
PubChem CID161347358
Molecular FormulaC5H12INO2
Molecular Weight245.06 g/mol
Exact Mass244.99
IUPAC Namebutyl carbamate;hydroiodide
SMILESCCCCOC(N)=O.I
InChIInChI=1S/C5H11NO2.HI/c1-2-3-4-8-5(6)7;/h2-4H2,1H3,(H2,6,7);1H
InChIKeyDSFKZDADTRRFTJ-UHFFFAOYSA-N
XLogP1.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.06
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl carbamate;hydrochloride
CID 88609650
butyl carbamate;phosphane
CID 174948771
octacosyl carbamate
CID 160925840
ethane;pentyl carbamate
CID 142339635
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;hydroiodide?
The IUPAC name of butyl carbamate;hydroiodide (CID 161347358) is butyl carbamate;hydroiodide.
What is the SMILES notation for butyl carbamate;hydroiodide?
The canonical SMILES for butyl carbamate;hydroiodide is CCCCOC(N)=O.I.
What is the InChIKey of butyl carbamate;hydroiodide?
The InChIKey is DSFKZDADTRRFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.HI/c1-2-3-4-8-5(6)7;/h2-4H2,1H3,(H2,6,7);1H.
What are the key properties of butyl carbamate;hydroiodide?
butyl carbamate;hydroiodide has a molecular weight of 245.06 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl carbamate;hydroiodide is sourced from PubChem (CID 161347358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).