furan-2-carbonyl(methyl)carbamic acid;hydrochloride

C7H8ClNO4 — CID 70634147

IUPACfuran-2-carbonyl(methyl)carbamic acid;hydrochloride
SMILESCN(C(=O)O)C(=O)c1ccco1.Cl
InChIInChI=1S/C7H7NO4.ClH/c1-8(7(10)11)6(9)5-3-2-4-12-5;/h2-4H,1H3,(H,10,11);1H
InChIKeyHXCXFSILLVSTCI-UHFFFAOYSA-N
MW205.60 g/mol
LogP1.45
Rot. Bonds1

About furan-2-carbonyl(methyl)carbamic acid;hydrochloride

furan-2-carbonyl(methyl)carbamic acid;hydrochloride (PubChem CID 70634147) has the molecular formula C7H8ClNO4 and a molecular weight of 205.60 g/mol. Its IUPAC name is furan-2-carbonyl(methyl)carbamic acid;hydrochloride.

Molecular Properties

Compound Namefuran-2-carbonyl(methyl)carbamic acid;hydrochloride
PubChem CID70634147
Molecular FormulaC7H8ClNO4
Molecular Weight205.60 g/mol
Exact Mass205.01
IUPAC Namefuran-2-carbonyl(methyl)carbamic acid;hydrochloride
SMILESCN(C(=O)O)C(=O)c1ccco1.Cl
InChIInChI=1S/C7H7NO4.ClH/c1-8(7(10)11)6(9)5-3-2-4-12-5;/h2-4H,1H3,(H,10,11);1H
InChIKeyHXCXFSILLVSTCI-UHFFFAOYSA-N
XLogP1.45
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.60
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dibenzylcarbamothioyl)-N-methylfuran-2-carboxamide
CID 101020572
N,N-dibenzylfuran-2-carboxamide
CID 762503
N-benzyl-4-(furan-2-yl)-N-methyl-4-oxobutanamide
CID 110389834
N-benzhydryl-N-methylfuran-2-carboxamide
CID 2510238
N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 15134402
furan-2-carboxylic acid;methanol
CID 70611195
N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 43047921
2-[furan-2-carbonyl(methyl)amino]acetate
CID 6943452
furan-2-carboxylic acid;methanamine
CID 82372767
benzoyl(methyl)carbamic acid;hydrochloride
CID 70634624
N-butyl-N-methylfuran-2-carboxamide
CID 60670878
N-methyl-N-(2-methylprop-2-enyl)furan-2-carboxamide
CID 115968439

Frequently Asked Questions

What is the IUPAC name of furan-2-carbonyl(methyl)carbamic acid;hydrochloride?
The IUPAC name of furan-2-carbonyl(methyl)carbamic acid;hydrochloride (CID 70634147) is furan-2-carbonyl(methyl)carbamic acid;hydrochloride.
What is the SMILES notation for furan-2-carbonyl(methyl)carbamic acid;hydrochloride?
The canonical SMILES for furan-2-carbonyl(methyl)carbamic acid;hydrochloride is CN(C(=O)O)C(=O)c1ccco1.Cl.
What is the InChIKey of furan-2-carbonyl(methyl)carbamic acid;hydrochloride?
The InChIKey is HXCXFSILLVSTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4.ClH/c1-8(7(10)11)6(9)5-3-2-4-12-5;/h2-4H,1H3,(H,10,11);1H.
What are the key properties of furan-2-carbonyl(methyl)carbamic acid;hydrochloride?
furan-2-carbonyl(methyl)carbamic acid;hydrochloride has a molecular weight of 205.60 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-carbonyl(methyl)carbamic acid;hydrochloride is sourced from PubChem (CID 70634147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).