2-amino-1-(1-methylpyrrol-2-yl)ethanol

C7H12N2O — CID 16767868

IUPAC2-amino-1-(1-methylpyrrol-2-yl)ethanol
SMILESCn1cccc1C(O)CN
InChIInChI=1S/C7H12N2O/c1-9-4-2-3-6(9)7(10)5-8/h2-4,7,10H,5,8H2,1H3
InChIKeyYPEDCPNXDIGKFP-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.02
Rot. Bonds2

About 2-amino-1-(1-methylpyrrol-2-yl)ethanol

2-amino-1-(1-methylpyrrol-2-yl)ethanol (PubChem CID 16767868) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-amino-1-(1-methylpyrrol-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(1-methylpyrrol-2-yl)ethanol
PubChem CID16767868
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-amino-1-(1-methylpyrrol-2-yl)ethanol
SMILESCn1cccc1C(O)CN
InChIInChI=1S/C7H12N2O/c1-9-4-2-3-6(9)7(10)5-8/h2-4,7,10H,5,8H2,1H3
InChIKeyYPEDCPNXDIGKFP-UHFFFAOYSA-N
XLogP0.02
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-methylpyrrol-2-yl)ethanol?
The IUPAC name of 2-amino-1-(1-methylpyrrol-2-yl)ethanol (CID 16767868) is 2-amino-1-(1-methylpyrrol-2-yl)ethanol.
What is the SMILES notation for 2-amino-1-(1-methylpyrrol-2-yl)ethanol?
The canonical SMILES for 2-amino-1-(1-methylpyrrol-2-yl)ethanol is Cn1cccc1C(O)CN.
What is the InChIKey of 2-amino-1-(1-methylpyrrol-2-yl)ethanol?
The InChIKey is YPEDCPNXDIGKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-9-4-2-3-6(9)7(10)5-8/h2-4,7,10H,5,8H2,1H3.
What are the key properties of 2-amino-1-(1-methylpyrrol-2-yl)ethanol?
2-amino-1-(1-methylpyrrol-2-yl)ethanol has a molecular weight of 140.19 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-methylpyrrol-2-yl)ethanol is sourced from PubChem (CID 16767868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).