3-amino-1-(1-methylpyrrol-2-yl)propane-1,2-diol

C8H14N2O2 — CID 170829352

IUPAC3-amino-1-(1-methylpyrrol-2-yl)propane-1,2-diol
SMILESCn1cccc1C(O)C(O)CN
InChIInChI=1S/C8H14N2O2/c1-10-4-2-3-6(10)8(12)7(11)5-9/h2-4,7-8,11-12H,5,9H2,1H3
InChIKeyOAVOWSUZZXUDNW-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.62
Rot. Bonds3

About 3-amino-1-(1-methylpyrrol-2-yl)propane-1,2-diol

3-amino-1-(1-methylpyrrol-2-yl)propane-1,2-diol (PubChem CID 170829352) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-amino-1-(1-methylpyrrol-2-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(1-methylpyrrol-2-yl)propane-1,2-diol
PubChem CID170829352
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-amino-1-(1-methylpyrrol-2-yl)propane-1,2-diol
SMILESCn1cccc1C(O)C(O)CN
InChIInChI=1S/C8H14N2O2/c1-10-4-2-3-6(10)8(12)7(11)5-9/h2-4,7-8,11-12H,5,9H2,1H3
InChIKeyOAVOWSUZZXUDNW-UHFFFAOYSA-N
XLogP-0.62
TPSA71.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrrol-2-yl)-3-sulfanylpropane-1,2-diol
CID 170821220
3-(1-methylpyrrol-2-yl)butan-1-amine
CID 82595087
2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol
CID 14788370
methoxy-(1-methylpyrrol-2-yl)methanol
CID 45087864
2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethanamine
CID 56724856
(1S,2R)-1-amino-3-methyl-1-(1-methylpyrrol-2-yl)butan-2-ol
CID 130718418
(R)-(3,5-dimethylphenyl)-(1-methylpyrrol-2-yl)methanol
CID 97293069
(1S,2R)-1-amino-3,3-dimethyl-1-(1-methylpyrrol-2-yl)butan-2-ol
CID 130666304
(1S)-3-methyl-1-(1-methylpyrrol-2-yl)but-3-en-1-amine
CID 130897911
(1R)-1-(1-methylpyrrol-2-yl)pentane-1,5-diamine
CID 171212571
2-heptan-4-yl-1-methylpyrrole
CID 142001413
[hydroxy-(1-methylpyrrol-2-yl)methyl]phosphonic acid
CID 130694036

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-methylpyrrol-2-yl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(1-methylpyrrol-2-yl)propane-1,2-diol (CID 170829352) is 3-amino-1-(1-methylpyrrol-2-yl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(1-methylpyrrol-2-yl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(1-methylpyrrol-2-yl)propane-1,2-diol is Cn1cccc1C(O)C(O)CN.
What is the InChIKey of 3-amino-1-(1-methylpyrrol-2-yl)propane-1,2-diol?
The InChIKey is OAVOWSUZZXUDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-10-4-2-3-6(10)8(12)7(11)5-9/h2-4,7-8,11-12H,5,9H2,1H3.
What are the key properties of 3-amino-1-(1-methylpyrrol-2-yl)propane-1,2-diol?
3-amino-1-(1-methylpyrrol-2-yl)propane-1,2-diol has a molecular weight of 170.21 g/mol, XLogP of -0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-methylpyrrol-2-yl)propane-1,2-diol is sourced from PubChem (CID 170829352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).