[1-(1H-pyrrol-3-ylmethyl)pyrrolidin-2-yl]methanol

C10H16N2O — CID 115882282

IUPAC[1-(1H-pyrrol-3-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1cc[nH]c1
InChIInChI=1S/C10H16N2O/c13-8-10-2-1-5-12(10)7-9-3-4-11-6-9/h3-4,6,10-11,13H,1-2,5,7-8H2
InChIKeyBSGLAMKJMFSKTO-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.97
Rot. Bonds3

About [1-(1H-pyrrol-3-ylmethyl)pyrrolidin-2-yl]methanol

[1-(1H-pyrrol-3-ylmethyl)pyrrolidin-2-yl]methanol (PubChem CID 115882282) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is [1-(1H-pyrrol-3-ylmethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(1H-pyrrol-3-ylmethyl)pyrrolidin-2-yl]methanol
PubChem CID115882282
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name[1-(1H-pyrrol-3-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1cc[nH]c1
InChIInChI=1S/C10H16N2O/c13-8-10-2-1-5-12(10)7-9-3-4-11-6-9/h3-4,6,10-11,13H,1-2,5,7-8H2
InChIKeyBSGLAMKJMFSKTO-UHFFFAOYSA-N
XLogP0.97
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]methanol
CID 115879655
[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 42127568
[(2S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 42127618
1-[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]ethanol
CID 115882687
[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 62016121
[(2S)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanol
CID 30979696
[1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407137
[1-(pyridin-4-ylmethyl)azepan-2-yl]methanol
CID 116637584
[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 60582294
[(2R)-1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 70142040
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
[1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407185

Frequently Asked Questions

What is the IUPAC name of [1-(1H-pyrrol-3-ylmethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(1H-pyrrol-3-ylmethyl)pyrrolidin-2-yl]methanol (CID 115882282) is [1-(1H-pyrrol-3-ylmethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(1H-pyrrol-3-ylmethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(1H-pyrrol-3-ylmethyl)pyrrolidin-2-yl]methanol is OCC1CCCN1Cc1cc[nH]c1.
What is the InChIKey of [1-(1H-pyrrol-3-ylmethyl)pyrrolidin-2-yl]methanol?
The InChIKey is BSGLAMKJMFSKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c13-8-10-2-1-5-12(10)7-9-3-4-11-6-9/h3-4,6,10-11,13H,1-2,5,7-8H2.
What are the key properties of [1-(1H-pyrrol-3-ylmethyl)pyrrolidin-2-yl]methanol?
[1-(1H-pyrrol-3-ylmethyl)pyrrolidin-2-yl]methanol has a molecular weight of 180.25 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-pyrrol-3-ylmethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 115882282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).