[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-2-yl]methanol

C13H17NO3 — CID 23935026

IUPAC[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C13H17NO3/c15-8-11-2-1-5-14(11)7-10-3-4-12-13(6-10)17-9-16-12/h3-4,6,11,15H,1-2,5,7-9H2
InChIKeyHYUQEQNTEQNOHP-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.37
Rot. Bonds3

About [1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-2-yl]methanol

[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-2-yl]methanol (PubChem CID 23935026) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is [1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-2-yl]methanol
PubChem CID23935026
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C13H17NO3/c15-8-11-2-1-5-14(11)7-10-3-4-12-13(6-10)17-9-16-12/h3-4,6,11,15H,1-2,5,7-9H2
InChIKeyHYUQEQNTEQNOHP-UHFFFAOYSA-N
XLogP1.37
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 111462081
methyl 2-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]acetate
CID 62028859
2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 65068120
[1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407185
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
[1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407137
[(2S)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanol
CID 30979696
[(2R)-1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 70142040
1-[[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]methyl]pyrazole
CID 95308122
[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 42127568
2-amino-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenol
CID 61406900
1-(1,3-benzodioxol-5-ylmethyl)azepane
CID 765340

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-2-yl]methanol (CID 23935026) is [1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-2-yl]methanol is OCC1CCCN1Cc1ccc2c(c1)OCO2.
What is the InChIKey of [1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-2-yl]methanol?
The InChIKey is HYUQEQNTEQNOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-8-11-2-1-5-14(11)7-10-3-4-12-13(6-10)17-9-16-12/h3-4,6,11,15H,1-2,5,7-9H2.
What are the key properties of [1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-2-yl]methanol?
[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-2-yl]methanol has a molecular weight of 235.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 23935026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).