1-cyclopropyl-2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethanol

C9H16N2O — CID 79504079

IUPAC1-cyclopropyl-2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethanol
SMILESOC(CNC1=NCCC1)C1CC1
InChIInChI=1S/C9H16N2O/c12-8(7-3-4-7)6-11-9-2-1-5-10-9/h7-8,12H,1-6H2,(H,10,11)
InChIKeyTWXLLOJNBGGTBB-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.54
Rot. Bonds3

About 1-cyclopropyl-2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethanol

1-cyclopropyl-2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethanol (PubChem CID 79504079) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethanol
PubChem CID79504079
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-cyclopropyl-2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethanol
SMILESOC(CNC1=NCCC1)C1CC1
InChIInChI=1S/C9H16N2O/c12-8(7-3-4-7)6-11-9-2-1-5-10-9/h7-8,12H,1-6H2,(H,10,11)
InChIKeyTWXLLOJNBGGTBB-UHFFFAOYSA-N
XLogP0.54
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethanol (CID 79504079) is 1-cyclopropyl-2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethanol is OC(CNC1=NCCC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethanol?
The InChIKey is TWXLLOJNBGGTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c12-8(7-3-4-7)6-11-9-2-1-5-10-9/h7-8,12H,1-6H2,(H,10,11).
What are the key properties of 1-cyclopropyl-2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethanol?
1-cyclopropyl-2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethanol has a molecular weight of 168.24 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethanol is sourced from PubChem (CID 79504079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).