[5-[(2-butylpyrrolidin-1-yl)methyl]furan-2-yl]methanol

C14H23NO2 — CID 50981707

IUPAC[5-[(2-butylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
SMILESCCCCC1CCCN1Cc1ccc(CO)o1
InChIInChI=1S/C14H23NO2/c1-2-3-5-12-6-4-9-15(12)10-13-7-8-14(11-16)17-13/h7-8,12,16H,2-6,9-11H2,1H3
InChIKeyYIBCFNLRWRRYLY-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.93
Rot. Bonds6

About [5-[(2-butylpyrrolidin-1-yl)methyl]furan-2-yl]methanol

[5-[(2-butylpyrrolidin-1-yl)methyl]furan-2-yl]methanol (PubChem CID 50981707) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is [5-[(2-butylpyrrolidin-1-yl)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(2-butylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
PubChem CID50981707
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name[5-[(2-butylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
SMILESCCCCC1CCCN1Cc1ccc(CO)o1
InChIInChI=1S/C14H23NO2/c1-2-3-5-12-6-4-9-15(12)10-13-7-8-14(11-16)17-13/h7-8,12,16H,2-6,9-11H2,1H3
InChIKeyYIBCFNLRWRRYLY-UHFFFAOYSA-N
XLogP2.93
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[[(2R)-2-butylpyrrolidin-1-yl]methyl]furan-2-yl]methanol
CID 95144576
[5-[(2-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
CID 115882863
3-[1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 111103038
1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 115883125
[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 82505300
5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 115312700
5-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile
CID 103881856
2-(1-pentylpyrrolidin-2-yl)ethanol
CID 117028513
5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 111111607
5-[[2-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 112748717
2-[(2-butylpyrrolidin-1-yl)methyl]pyridin-4-amine
CID 177189178
[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol
CID 112548894

Frequently Asked Questions

What is the IUPAC name of [5-[(2-butylpyrrolidin-1-yl)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(2-butylpyrrolidin-1-yl)methyl]furan-2-yl]methanol (CID 50981707) is [5-[(2-butylpyrrolidin-1-yl)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(2-butylpyrrolidin-1-yl)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(2-butylpyrrolidin-1-yl)methyl]furan-2-yl]methanol is CCCCC1CCCN1Cc1ccc(CO)o1.
What is the InChIKey of [5-[(2-butylpyrrolidin-1-yl)methyl]furan-2-yl]methanol?
The InChIKey is YIBCFNLRWRRYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-3-5-12-6-4-9-15(12)10-13-7-8-14(11-16)17-13/h7-8,12,16H,2-6,9-11H2,1H3.
What are the key properties of [5-[(2-butylpyrrolidin-1-yl)methyl]furan-2-yl]methanol?
[5-[(2-butylpyrrolidin-1-yl)methyl]furan-2-yl]methanol has a molecular weight of 237.34 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-butylpyrrolidin-1-yl)methyl]furan-2-yl]methanol is sourced from PubChem (CID 50981707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).