2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol

C10H16N2O — CID 66401036

IUPAC2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol
SMILESOCCn1cccc1CNC1CC1
InChIInChI=1S/C10H16N2O/c13-7-6-12-5-1-2-10(12)8-11-9-3-4-9/h1-2,5,9,11,13H,3-4,6-8H2
InChIKeyPYYXZXZDIKSBRH-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.73
Rot. Bonds5

About 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol

2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol (PubChem CID 66401036) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol
PubChem CID66401036
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol
SMILESOCCn1cccc1CNC1CC1
InChIInChI=1S/C10H16N2O/c13-7-6-12-5-1-2-10(12)8-11-9-3-4-9/h1-2,5,9,11,13H,3-4,6-8H2
InChIKeyPYYXZXZDIKSBRH-UHFFFAOYSA-N
XLogP0.73
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol (CID 66401036) is 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol is OCCn1cccc1CNC1CC1.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol?
The InChIKey is PYYXZXZDIKSBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c13-7-6-12-5-1-2-10(12)8-11-9-3-4-9/h1-2,5,9,11,13H,3-4,6-8H2.
What are the key properties of 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol?
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol has a molecular weight of 180.25 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol is sourced from PubChem (CID 66401036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).