propyl carbamate;dihydrochloride

C4H11Cl2NO2 — CID 87576214

IUPACpropyl carbamate;dihydrochloride
SMILESCCCOC(N)=O.Cl.Cl
InChIInChI=1S/C4H9NO2.2ClH/c1-2-3-7-4(5)6;;/h2-3H2,1H3,(H2,5,6);2*1H
InChIKeyOAVKXJWTVNSEQP-UHFFFAOYSA-N
MW176.04 g/mol
LogP1.34
Rot. Bonds2

About propyl carbamate;dihydrochloride

propyl carbamate;dihydrochloride (PubChem CID 87576214) has the molecular formula C4H11Cl2NO2 and a molecular weight of 176.04 g/mol. Its IUPAC name is propyl carbamate;dihydrochloride.

Molecular Properties

Compound Namepropyl carbamate;dihydrochloride
PubChem CID87576214
Molecular FormulaC4H11Cl2NO2
Molecular Weight176.04 g/mol
Exact Mass175.02
IUPAC Namepropyl carbamate;dihydrochloride
SMILESCCCOC(N)=O.Cl.Cl
InChIInChI=1S/C4H9NO2.2ClH/c1-2-3-7-4(5)6;;/h2-3H2,1H3,(H2,5,6);2*1H
InChIKeyOAVKXJWTVNSEQP-UHFFFAOYSA-N
XLogP1.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.04
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

butyl carbamate;hydrochloride
CID 88609650
2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate
CID 177163981
butyl carbamate;hydroiodide
CID 161347358
butyl carbamate;phosphane
CID 174948771
phenol;propyl carbamate
CID 174701394
octacosyl carbamate
CID 160925840
ethane;pentyl carbamate
CID 142339635
ethyl carbamate
CID 21202847
ethyl carbamate
CID 158786750
ethyl carbamate
CID 161409576
3-oxoheptyl carbamate
CID 151371373
propyl acetate;hydrate
CID 122690555

Frequently Asked Questions

What is the IUPAC name of propyl carbamate;dihydrochloride?
The IUPAC name of propyl carbamate;dihydrochloride (CID 87576214) is propyl carbamate;dihydrochloride.
What is the SMILES notation for propyl carbamate;dihydrochloride?
The canonical SMILES for propyl carbamate;dihydrochloride is CCCOC(N)=O.Cl.Cl.
What is the InChIKey of propyl carbamate;dihydrochloride?
The InChIKey is OAVKXJWTVNSEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.2ClH/c1-2-3-7-4(5)6;;/h2-3H2,1H3,(H2,5,6);2*1H.
What are the key properties of propyl carbamate;dihydrochloride?
propyl carbamate;dihydrochloride has a molecular weight of 176.04 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl carbamate;dihydrochloride is sourced from PubChem (CID 87576214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).