methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate;hydrochloride

C8H12ClNO3 — CID 43810610

IUPACmethyl 5-(aminomethyl)-2-methylfuran-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(CN)oc1C.Cl
InChIInChI=1S/C8H11NO3.ClH/c1-5-7(8(10)11-2)3-6(4-9)12-5;/h3H,4,9H2,1-2H3;1H
InChIKeyNQTKYQKAQGGADP-UHFFFAOYSA-N
MW205.64 g/mol
LogP1.26
Rot. Bonds2

About methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate;hydrochloride

methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate;hydrochloride (PubChem CID 43810610) has the molecular formula C8H12ClNO3 and a molecular weight of 205.64 g/mol. Its IUPAC name is methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-(aminomethyl)-2-methylfuran-3-carboxylate;hydrochloride
PubChem CID43810610
Molecular FormulaC8H12ClNO3
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Namemethyl 5-(aminomethyl)-2-methylfuran-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(CN)oc1C.Cl
InChIInChI=1S/C8H11NO3.ClH/c1-5-7(8(10)11-2)3-6(4-9)12-5;/h3H,4,9H2,1-2H3;1H
InChIKeyNQTKYQKAQGGADP-UHFFFAOYSA-N
XLogP1.26
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(aminomethyl)-5-(tert-butyl)furan-3-carboxylate
CID 607286
5-[(Diethylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 1857693
5-(Aminomethyl)furan-3-carboxylic acid
CID 715173
(4,5-Dimethylfuran-2-yl)methanamine
CID 15563821
Ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate
CID 591699
Methyl 2-methyl-5-[(methylamino)methyl]furan-3-carboxylate hydrochloride
CID 16285960
5-(Aminomethyl)-2-methylfuran-3-carboxylic acid hydrochloride
CID 91654549
Methyl 5-carbamothioylfuran-3-carboxylate
CID 125515255
Methyl 5-(aminomethyl)furan-3-carboxylate hydrochloride
CID 126796989
2-(Aminomethyl)furan-3-carboxylic acid hydrochloride
CID 137698659
Methyl 5-(3-aminopropyl)-2-methylfuran-3-carboxylate hydrochloride
CID 145874431
Ethyl 2-(aminomethyl)furan-3-carboxylate hydrochloride
CID 165891929

Frequently Asked Questions

What is the IUPAC name of methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate;hydrochloride?
The IUPAC name of methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate;hydrochloride (CID 43810610) is methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate;hydrochloride is COC(=O)c1cc(CN)oc1C.Cl.
What is the InChIKey of methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate;hydrochloride?
The InChIKey is NQTKYQKAQGGADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3.ClH/c1-5-7(8(10)11-2)3-6(4-9)12-5;/h3H,4,9H2,1-2H3;1H.
What are the key properties of methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate;hydrochloride?
methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate;hydrochloride has a molecular weight of 205.64 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate;hydrochloride is sourced from PubChem (CID 43810610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).