(2,5-dimethylfuran-3-carbonyl)-methylcarbamic acid;hydrochloride

C9H12ClNO4 — CID 70634748

IUPAC(2,5-dimethylfuran-3-carbonyl)-methylcarbamic acid;hydrochloride
SMILESCc1cc(C(=O)N(C)C(=O)O)c(C)o1.Cl
InChIInChI=1S/C9H11NO4.ClH/c1-5-4-7(6(2)14-5)8(11)10(3)9(12)13;/h4H,1-3H3,(H,12,13);1H
InChIKeyQXOHPZXIMSFNML-UHFFFAOYSA-N
MW233.65 g/mol
LogP2.07
Rot. Bonds1

About (2,5-dimethylfuran-3-carbonyl)-methylcarbamic acid;hydrochloride

(2,5-dimethylfuran-3-carbonyl)-methylcarbamic acid;hydrochloride (PubChem CID 70634748) has the molecular formula C9H12ClNO4 and a molecular weight of 233.65 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-carbonyl)-methylcarbamic acid;hydrochloride.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-carbonyl)-methylcarbamic acid;hydrochloride
PubChem CID70634748
Molecular FormulaC9H12ClNO4
Molecular Weight233.65 g/mol
Exact Mass233.05
IUPAC Name(2,5-dimethylfuran-3-carbonyl)-methylcarbamic acid;hydrochloride
SMILESCc1cc(C(=O)N(C)C(=O)O)c(C)o1.Cl
InChIInChI=1S/C9H11NO4.ClH/c1-5-4-7(6(2)14-5)8(11)10(3)9(12)13;/h4H,1-3H3,(H,12,13);1H
InChIKeyQXOHPZXIMSFNML-UHFFFAOYSA-N
XLogP2.07
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-N,2,5-trimethylfuran-3-carboxamide
CID 63391531
2,5-dimethyl-N,N-bis(2-methylpropyl)furan-3-carboxamide
CID 86978108
N-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide
CID 3303521
N-[2-[methoxy(methyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 47301051
2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
CID 54945910
4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66236338
lithium 2,5-dimethylfuran-3-carboxylate
CID 58078185
N-benzyl-N-butan-2-yl-2,5-dimethylfuran-3-carboxamide
CID 134025956
2-[(2,5-dimethylfuran-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990637
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
CID 120886169
N-methoxy-2,5-dimethylfuran-3-carboxamide
CID 60716938
N-(azetidin-3-yl)-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 66181383

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-carbonyl)-methylcarbamic acid;hydrochloride?
The IUPAC name of (2,5-dimethylfuran-3-carbonyl)-methylcarbamic acid;hydrochloride (CID 70634748) is (2,5-dimethylfuran-3-carbonyl)-methylcarbamic acid;hydrochloride.
What is the SMILES notation for (2,5-dimethylfuran-3-carbonyl)-methylcarbamic acid;hydrochloride?
The canonical SMILES for (2,5-dimethylfuran-3-carbonyl)-methylcarbamic acid;hydrochloride is Cc1cc(C(=O)N(C)C(=O)O)c(C)o1.Cl.
What is the InChIKey of (2,5-dimethylfuran-3-carbonyl)-methylcarbamic acid;hydrochloride?
The InChIKey is QXOHPZXIMSFNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4.ClH/c1-5-4-7(6(2)14-5)8(11)10(3)9(12)13;/h4H,1-3H3,(H,12,13);1H.
What are the key properties of (2,5-dimethylfuran-3-carbonyl)-methylcarbamic acid;hydrochloride?
(2,5-dimethylfuran-3-carbonyl)-methylcarbamic acid;hydrochloride has a molecular weight of 233.65 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-carbonyl)-methylcarbamic acid;hydrochloride is sourced from PubChem (CID 70634748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).