[(2S)-1-(dibenzofuran-4-ylmethyl)pyrrolidin-2-yl]methanol

C18H19NO2 — CID 15504357

IUPAC[(2S)-1-(dibenzofuran-4-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C18H19NO2/c20-12-14-6-4-10-19(14)11-13-5-3-8-16-15-7-1-2-9-17(15)21-18(13)16/h1-3,5,7-9,14,20H,4,6,10-12H2/t14-/m0/s1
InChIKeyRYDCGGNKMXWFHU-AWEZNQCLSA-N
MW281.36 g/mol
LogP3.54
Rot. Bonds3

About [(2S)-1-(dibenzofuran-4-ylmethyl)pyrrolidin-2-yl]methanol

[(2S)-1-(dibenzofuran-4-ylmethyl)pyrrolidin-2-yl]methanol (PubChem CID 15504357) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is [(2S)-1-(dibenzofuran-4-ylmethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(dibenzofuran-4-ylmethyl)pyrrolidin-2-yl]methanol
PubChem CID15504357
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name[(2S)-1-(dibenzofuran-4-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C18H19NO2/c20-12-14-6-4-10-19(14)11-13-5-3-8-16-15-7-1-2-9-17(15)21-18(13)16/h1-3,5,7-9,14,20H,4,6,10-12H2/t14-/m0/s1
InChIKeyRYDCGGNKMXWFHU-AWEZNQCLSA-N
XLogP3.54
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 61407811
[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 62016121
[(2R)-1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79240208
[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79241362
1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 131891384
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758703
[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62015900
[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
CID 796363
[1-[[2-(naphthalen-1-ylsulfanylmethyl)phenyl]methyl]piperidin-2-yl]methanol
CID 22744770
[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
CID 60968324
[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine
CID 43187015
2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol
CID 30675012

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(dibenzofuran-4-ylmethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(dibenzofuran-4-ylmethyl)pyrrolidin-2-yl]methanol (CID 15504357) is [(2S)-1-(dibenzofuran-4-ylmethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(dibenzofuran-4-ylmethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(dibenzofuran-4-ylmethyl)pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1Cc1cccc2c1oc1ccccc12.
What is the InChIKey of [(2S)-1-(dibenzofuran-4-ylmethyl)pyrrolidin-2-yl]methanol?
The InChIKey is RYDCGGNKMXWFHU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19NO2/c20-12-14-6-4-10-19(14)11-13-5-3-8-16-15-7-1-2-9-17(15)21-18(13)16/h1-3,5,7-9,14,20H,4,6,10-12H2/t14-/m0/s1.
What are the key properties of [(2S)-1-(dibenzofuran-4-ylmethyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(dibenzofuran-4-ylmethyl)pyrrolidin-2-yl]methanol has a molecular weight of 281.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(dibenzofuran-4-ylmethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 15504357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).