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

C8H16N2O — CID 79503717

IUPAC4-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-2-ol
SMILESCC(O)CCNC1=NCCC1
InChIInChI=1S/C8H16N2O/c1-7(11)4-6-10-8-3-2-5-9-8/h7,11H,2-6H2,1H3,(H,9,10)
InChIKeyXMKBFCPVADWRJV-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.54
Rot. Bonds3

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

4-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-2-ol (PubChem CID 79503717) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-2-ol.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-2-ol
PubChem CID79503717
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-2-ol
SMILESCC(O)CCNC1=NCCC1
InChIInChI=1S/C8H16N2O/c1-7(11)4-6-10-8-3-2-5-9-8/h7,11H,2-6H2,1H3,(H,9,10)
InChIKeyXMKBFCPVADWRJV-UHFFFAOYSA-N
XLogP0.54
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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 4-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-2-ol?
The IUPAC name of 4-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-2-ol (CID 79503717) is 4-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-2-ol.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-2-ol?
The canonical SMILES for 4-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-2-ol is CC(O)CCNC1=NCCC1.
What is the InChIKey of 4-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-2-ol?
The InChIKey is XMKBFCPVADWRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(11)4-6-10-8-3-2-5-9-8/h7,11H,2-6H2,1H3,(H,9,10).
What are the key properties of 4-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-2-ol?
4-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-2-ol has a molecular weight of 156.23 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 4-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-2-ol is sourced from PubChem (CID 79503717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).