3-[(1H-pyrrol-2-ylmethylamino)methyl]oxolan-3-ol

C10H16N2O2 — CID 103578728

IUPAC3-[(1H-pyrrol-2-ylmethylamino)methyl]oxolan-3-ol
SMILESOC1(CNCc2ccc[nH]2)CCOC1
InChIInChI=1S/C10H16N2O2/c13-10(3-5-14-8-10)7-11-6-9-2-1-4-12-9/h1-2,4,11-13H,3,5-8H2
InChIKeyLRBAUFGGIFJNBY-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.26
Rot. Bonds4

About 3-[(1H-pyrrol-2-ylmethylamino)methyl]oxolan-3-ol

3-[(1H-pyrrol-2-ylmethylamino)methyl]oxolan-3-ol (PubChem CID 103578728) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[(1H-pyrrol-2-ylmethylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(1H-pyrrol-2-ylmethylamino)methyl]oxolan-3-ol
PubChem CID103578728
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-[(1H-pyrrol-2-ylmethylamino)methyl]oxolan-3-ol
SMILESOC1(CNCc2ccc[nH]2)CCOC1
InChIInChI=1S/C10H16N2O2/c13-10(3-5-14-8-10)7-11-6-9-2-1-4-12-9/h1-2,4,11-13H,3,5-8H2
InChIKeyLRBAUFGGIFJNBY-UHFFFAOYSA-N
XLogP0.26
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol
CID 115765990
3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100480
methyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate
CID 103923800
3-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 114143452
5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]thiophene-2-carboxylic acid
CID 106102577
3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338500
3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848486
4-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzene-1,3-diol
CID 113337838
3-[[(4-methylsulfanylphenyl)methylamino]methyl]oxolan-3-ol
CID 103848331
3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol
CID 103848379
3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol
CID 103848358
3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide
CID 103848289

Frequently Asked Questions

What is the IUPAC name of 3-[(1H-pyrrol-2-ylmethylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(1H-pyrrol-2-ylmethylamino)methyl]oxolan-3-ol (CID 103578728) is 3-[(1H-pyrrol-2-ylmethylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(1H-pyrrol-2-ylmethylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(1H-pyrrol-2-ylmethylamino)methyl]oxolan-3-ol is OC1(CNCc2ccc[nH]2)CCOC1.
What is the InChIKey of 3-[(1H-pyrrol-2-ylmethylamino)methyl]oxolan-3-ol?
The InChIKey is LRBAUFGGIFJNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-10(3-5-14-8-10)7-11-6-9-2-1-4-12-9/h1-2,4,11-13H,3,5-8H2.
What are the key properties of 3-[(1H-pyrrol-2-ylmethylamino)methyl]oxolan-3-ol?
3-[(1H-pyrrol-2-ylmethylamino)methyl]oxolan-3-ol has a molecular weight of 196.25 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1H-pyrrol-2-ylmethylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 103578728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).