5-(aminomethyl)-2-methyl-3H-furan-2-ol

C6H11NO2 — CID 174816911

IUPAC5-(aminomethyl)-2-methyl-3H-furan-2-ol
SMILESCC1(O)CC=C(CN)O1
InChIInChI=1S/C6H11NO2/c1-6(8)3-2-5(4-7)9-6/h2,8H,3-4,7H2,1H3
InChIKeyBPBYRIHPRGQTMP-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.04
Rot. Bonds1

About 5-(aminomethyl)-2-methyl-3H-furan-2-ol

5-(aminomethyl)-2-methyl-3H-furan-2-ol (PubChem CID 174816911) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-3H-furan-2-ol.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-3H-furan-2-ol
PubChem CID174816911
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name5-(aminomethyl)-2-methyl-3H-furan-2-ol
SMILESCC1(O)CC=C(CN)O1
InChIInChI=1S/C6H11NO2/c1-6(8)3-2-5(4-7)9-6/h2,8H,3-4,7H2,1H3
InChIKeyBPBYRIHPRGQTMP-UHFFFAOYSA-N
XLogP-0.04
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-3H-furan-2-ol?
The IUPAC name of 5-(aminomethyl)-2-methyl-3H-furan-2-ol (CID 174816911) is 5-(aminomethyl)-2-methyl-3H-furan-2-ol.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-3H-furan-2-ol?
The canonical SMILES for 5-(aminomethyl)-2-methyl-3H-furan-2-ol is CC1(O)CC=C(CN)O1.
What is the InChIKey of 5-(aminomethyl)-2-methyl-3H-furan-2-ol?
The InChIKey is BPBYRIHPRGQTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-6(8)3-2-5(4-7)9-6/h2,8H,3-4,7H2,1H3.
What are the key properties of 5-(aminomethyl)-2-methyl-3H-furan-2-ol?
5-(aminomethyl)-2-methyl-3H-furan-2-ol has a molecular weight of 129.16 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-3H-furan-2-ol is sourced from PubChem (CID 174816911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).