1-[2-amino-1-(5-methylfuran-2-yl)ethyl]pyrrolidin-3-ol

C11H18N2O2 — CID 62943169

IUPAC1-[2-amino-1-(5-methylfuran-2-yl)ethyl]pyrrolidin-3-ol
SMILESCc1ccc(C(CN)N2CCC(O)C2)o1
InChIInChI=1S/C11H18N2O2/c1-8-2-3-11(15-8)10(6-12)13-5-4-9(14)7-13/h2-3,9-10,14H,4-7,12H2,1H3
InChIKeyVRKHWNFFSZGWES-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.65
Rot. Bonds3

About 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]pyrrolidin-3-ol

1-[2-amino-1-(5-methylfuran-2-yl)ethyl]pyrrolidin-3-ol (PubChem CID 62943169) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-amino-1-(5-methylfuran-2-yl)ethyl]pyrrolidin-3-ol
PubChem CID62943169
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[2-amino-1-(5-methylfuran-2-yl)ethyl]pyrrolidin-3-ol
SMILESCc1ccc(C(CN)N2CCC(O)C2)o1
InChIInChI=1S/C11H18N2O2/c1-8-2-3-11(15-8)10(6-12)13-5-4-9(14)7-13/h2-3,9-10,14H,4-7,12H2,1H3
InChIKeyVRKHWNFFSZGWES-UHFFFAOYSA-N
XLogP0.65
TPSA62.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-3-methylpiperidin-4-ol
CID 114678005
2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 55160318
2-(3,4-dimethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine
CID 79181910
2-[1-[2-amino-1-(5-methylfuran-2-yl)ethyl]piperidin-4-yl]oxyethanol
CID 82696659
2-(3,4-dimethoxypyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine
CID 103531012
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine
CID 61440535
1-(2-amino-1-phenylethyl)pyrrolidin-3-ol
CID 62941324
1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol
CID 81097156
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol
CID 62942981
1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol
CID 62941144
2-(5-methylfuran-2-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
CID 102742936
1-[2-amino-1-(4-methylphenyl)ethyl]piperidin-4-ol
CID 55016646

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]pyrrolidin-3-ol (CID 62943169) is 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]pyrrolidin-3-ol is Cc1ccc(C(CN)N2CCC(O)C2)o1.
What is the InChIKey of 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]pyrrolidin-3-ol?
The InChIKey is VRKHWNFFSZGWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-2-3-11(15-8)10(6-12)13-5-4-9(14)7-13/h2-3,9-10,14H,4-7,12H2,1H3.
What are the key properties of 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]pyrrolidin-3-ol?
1-[2-amino-1-(5-methylfuran-2-yl)ethyl]pyrrolidin-3-ol has a molecular weight of 210.28 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 62943169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).