1-amino-3-(1H-pyrrol-2-yl)propan-2-ol

C7H12N2O — CID 116859152

IUPAC1-amino-3-(1H-pyrrol-2-yl)propan-2-ol
SMILESNCC(O)Cc1ccc[nH]1
InChIInChI=1S/C7H12N2O/c8-5-7(10)4-6-2-1-3-9-6/h1-3,7,9-10H,4-5,8H2
InChIKeyFSKJINOPWHYYBX-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.12
Rot. Bonds3

About 1-amino-3-(1H-pyrrol-2-yl)propan-2-ol

1-amino-3-(1H-pyrrol-2-yl)propan-2-ol (PubChem CID 116859152) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-amino-3-(1H-pyrrol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(1H-pyrrol-2-yl)propan-2-ol
PubChem CID116859152
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-amino-3-(1H-pyrrol-2-yl)propan-2-ol
SMILESNCC(O)Cc1ccc[nH]1
InChIInChI=1S/C7H12N2O/c8-5-7(10)4-6-2-1-3-9-6/h1-3,7,9-10H,4-5,8H2
InChIKeyFSKJINOPWHYYBX-UHFFFAOYSA-N
XLogP-0.12
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(1H-pyrrol-2-yl)propan-2-ol
CID 93340936
methane;1H-pyrrol-2-ylmethanamine
CID 162272370
CID 161383417
CID 161383417
tert-butyl N-[1-amino-3-(1H-pyrrol-2-yl)propan-2-yl]-N-methylcarbamate
CID 116861058
2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine
CID 116924952
3-(1H-pyrrol-2-ylmethylamino)propane-1,2-diol
CID 66177182
potassium 1H-pyrrol-2-ylmethanolate
CID 140988269
trimethyl(1H-pyrrol-2-ylmethyl)phosphanium iodide
CID 23031297
3-methyl-2-N-(1H-pyrrol-2-ylmethyl)butane-1,2-diamine
CID 115138127
2-amino-N'-methyl-3-(1H-pyrrol-2-yl)propanehydrazide
CID 116849541
2-ethyl-1H-pyrrole;hydrobromide
CID 174918112
1H-pyrrol-2-ylmethylhydrazine
CID 53275207

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1H-pyrrol-2-yl)propan-2-ol?
The IUPAC name of 1-amino-3-(1H-pyrrol-2-yl)propan-2-ol (CID 116859152) is 1-amino-3-(1H-pyrrol-2-yl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(1H-pyrrol-2-yl)propan-2-ol?
The canonical SMILES for 1-amino-3-(1H-pyrrol-2-yl)propan-2-ol is NCC(O)Cc1ccc[nH]1.
What is the InChIKey of 1-amino-3-(1H-pyrrol-2-yl)propan-2-ol?
The InChIKey is FSKJINOPWHYYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c8-5-7(10)4-6-2-1-3-9-6/h1-3,7,9-10H,4-5,8H2.
What are the key properties of 1-amino-3-(1H-pyrrol-2-yl)propan-2-ol?
1-amino-3-(1H-pyrrol-2-yl)propan-2-ol has a molecular weight of 140.19 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1H-pyrrol-2-yl)propan-2-ol is sourced from PubChem (CID 116859152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).