1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-ol

C8H16N2O — CID 79503244

IUPAC1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNC1=NCCC1
InChIInChI=1S/C8H16N2O/c1-8(2,11)6-10-7-4-3-5-9-7/h11H,3-6H2,1-2H3,(H,9,10)
InChIKeyLCSZOPLWSKFKBH-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.54
Rot. Bonds2

About 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-ol

1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-ol (PubChem CID 79503244) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-ol
PubChem CID79503244
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNC1=NCCC1
InChIInChI=1S/C8H16N2O/c1-8(2,11)6-10-7-4-3-5-9-7/h11H,3-6H2,1-2H3,(H,9,10)
InChIKeyLCSZOPLWSKFKBH-UHFFFAOYSA-N
XLogP0.54
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
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-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-ol (CID 79503244) is 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-ol is CC(C)(O)CNC1=NCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-ol?
The InChIKey is LCSZOPLWSKFKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2,11)6-10-7-4-3-5-9-7/h11H,3-6H2,1-2H3,(H,9,10).
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-ol?
1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-ol has a molecular weight of 156.23 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 79503244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).