1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol

C13H21NO2 — CID 115883125

IUPAC1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
SMILESCc1ccc(CN2CCCC2CC(C)O)o1
InChIInChI=1S/C13H21NO2/c1-10(15)8-12-4-3-7-14(12)9-13-6-5-11(2)16-13/h5-6,10,12,15H,3-4,7-9H2,1-2H3
InChIKeyDOQLSTMCKVCCRT-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.32
Rot. Bonds4

About 1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol

1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 115883125) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
PubChem CID115883125
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
SMILESCc1ccc(CN2CCCC2CC(C)O)o1
InChIInChI=1S/C13H21NO2/c1-10(15)8-12-4-3-7-14(12)9-13-6-5-11(2)16-13/h5-6,10,12,15H,3-4,7-9H2,1-2H3
InChIKeyDOQLSTMCKVCCRT-UHFFFAOYSA-N
XLogP2.32
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 82505300
2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine
CID 130718603
2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid
CID 54899724
1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321883
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758703
1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321893
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338091
2-[(2R)-4-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 98580104
1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 102880149
1-[(5-methylfuran-2-yl)methyl]piperidin-3-ol
CID 62022683
1-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321888
[2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 79539295

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol (CID 115883125) is 1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol is Cc1ccc(CN2CCCC2CC(C)O)o1.
What is the InChIKey of 1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is DOQLSTMCKVCCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(15)8-12-4-3-7-14(12)9-13-6-5-11(2)16-13/h5-6,10,12,15H,3-4,7-9H2,1-2H3.
What are the key properties of 1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol?
1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 115883125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).