(2S)-1-(1H-pyrrol-2-yl)propan-2-ol

C7H11NO — CID 93340936

IUPAC(2S)-1-(1H-pyrrol-2-yl)propan-2-ol
SMILESC[C@H](O)Cc1ccc[nH]1
InChIInChI=1S/C7H11NO/c1-6(9)5-7-3-2-4-8-7/h2-4,6,8-9H,5H2,1H3/t6-/m0/s1
InChIKeyDXQDBDDCDQHPBD-LURJTMIESA-N
MW125.17 g/mol
LogP0.94
Rot. Bonds2

About (2S)-1-(1H-pyrrol-2-yl)propan-2-ol

(2S)-1-(1H-pyrrol-2-yl)propan-2-ol (PubChem CID 93340936) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2S)-1-(1H-pyrrol-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(1H-pyrrol-2-yl)propan-2-ol
PubChem CID93340936
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2S)-1-(1H-pyrrol-2-yl)propan-2-ol
SMILESC[C@H](O)Cc1ccc[nH]1
InChIInChI=1S/C7H11NO/c1-6(9)5-7-3-2-4-8-7/h2-4,6,8-9H,5H2,1H3/t6-/m0/s1
InChIKeyDXQDBDDCDQHPBD-LURJTMIESA-N
XLogP0.94
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

trimethyl(1H-pyrrol-2-ylmethyl)phosphanium iodide
CID 23031297
1-amino-3-(1H-pyrrol-2-yl)propan-2-ol
CID 116859152
2-ethyl-1H-pyrrole;hydrobromide
CID 174918112
N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide
CID 60664312
2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110374909
2-amino-N'-methyl-3-(1H-pyrrol-2-yl)propanehydrazide
CID 116849541
2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine
CID 116924952
3-(1H-pyrrol-2-ylmethylamino)propane-1,2-diol
CID 66177182
2,3-dimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 64570071
[1-chloro-2-(1H-pyrrol-2-yl)ethyl] formate
CID 174933279
3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol
CID 103578645
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 62339065

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1H-pyrrol-2-yl)propan-2-ol?
The IUPAC name of (2S)-1-(1H-pyrrol-2-yl)propan-2-ol (CID 93340936) is (2S)-1-(1H-pyrrol-2-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(1H-pyrrol-2-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(1H-pyrrol-2-yl)propan-2-ol is C[C@H](O)Cc1ccc[nH]1.
What is the InChIKey of (2S)-1-(1H-pyrrol-2-yl)propan-2-ol?
The InChIKey is DXQDBDDCDQHPBD-LURJTMIESA-N. The full InChI is InChI=1S/C7H11NO/c1-6(9)5-7-3-2-4-8-7/h2-4,6,8-9H,5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-1-(1H-pyrrol-2-yl)propan-2-ol?
(2S)-1-(1H-pyrrol-2-yl)propan-2-ol has a molecular weight of 125.17 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1H-pyrrol-2-yl)propan-2-ol is sourced from PubChem (CID 93340936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).