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

C7H14N2O — CID 79508010

IUPAC1-(3,4-dihydro-2H-pyrrol-5-ylamino)propan-2-ol
SMILESCC(O)CNC1=NCCC1
InChIInChI=1S/C7H14N2O/c1-6(10)5-9-7-3-2-4-8-7/h6,10H,2-5H2,1H3,(H,8,9)
InChIKeyYJFRUJODJHCYBW-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.15
Rot. Bonds2

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

1-(3,4-dihydro-2H-pyrrol-5-ylamino)propan-2-ol (PubChem CID 79508010) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrrol-5-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-5-ylamino)propan-2-ol
PubChem CID79508010
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-(3,4-dihydro-2H-pyrrol-5-ylamino)propan-2-ol
SMILESCC(O)CNC1=NCCC1
InChIInChI=1S/C7H14N2O/c1-6(10)5-9-7-3-2-4-8-7/h6,10H,2-5H2,1H3,(H,8,9)
InChIKeyYJFRUJODJHCYBW-UHFFFAOYSA-N
XLogP0.15
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.15
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)propan-2-ol?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-ylamino)propan-2-ol (CID 79508010) is 1-(3,4-dihydro-2H-pyrrol-5-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-5-ylamino)propan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-5-ylamino)propan-2-ol is CC(O)CNC1=NCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-5-ylamino)propan-2-ol?
The InChIKey is YJFRUJODJHCYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6(10)5-9-7-3-2-4-8-7/h6,10H,2-5H2,1H3,(H,8,9).
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-5-ylamino)propan-2-ol?
1-(3,4-dihydro-2H-pyrrol-5-ylamino)propan-2-ol has a molecular weight of 142.20 g/mol, XLogP of 0.15, 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)propan-2-ol is sourced from PubChem (CID 79508010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).