butyl carbamate;hydrochloride

C5H12ClNO2 — CID 88609650

IUPACbutyl carbamate;hydrochloride
SMILESCCCCOC(N)=O.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-2-3-4-8-5(6)7;/h2-4H2,1H3,(H2,6,7);1H
InChIKeyKCKRZYGHXZKJNL-UHFFFAOYSA-N
MW153.61 g/mol
LogP1.30
Rot. Bonds3

About butyl carbamate;hydrochloride

butyl carbamate;hydrochloride (PubChem CID 88609650) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is butyl carbamate;hydrochloride.

Molecular Properties

Compound Namebutyl carbamate;hydrochloride
PubChem CID88609650
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Namebutyl carbamate;hydrochloride
SMILESCCCCOC(N)=O.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-2-3-4-8-5(6)7;/h2-4H2,1H3,(H2,6,7);1H
InChIKeyKCKRZYGHXZKJNL-UHFFFAOYSA-N
XLogP1.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl carbamate;phosphane
CID 174948771
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
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
magnesium;dibutyl carbonate;hydride
CID 174500135
butyl pentyl carbonate
CID 545576

Frequently Asked Questions

What is the IUPAC name of butyl carbamate;hydrochloride?
The IUPAC name of butyl carbamate;hydrochloride (CID 88609650) is butyl carbamate;hydrochloride.
What is the SMILES notation for butyl carbamate;hydrochloride?
The canonical SMILES for butyl carbamate;hydrochloride is CCCCOC(N)=O.Cl.
What is the InChIKey of butyl carbamate;hydrochloride?
The InChIKey is KCKRZYGHXZKJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-2-3-4-8-5(6)7;/h2-4H2,1H3,(H2,6,7);1H.
What are the key properties of butyl carbamate;hydrochloride?
butyl carbamate;hydrochloride has a molecular weight of 153.61 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 butyl carbamate;hydrochloride is sourced from PubChem (CID 88609650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).