3-amino-3-(1H-pyrrol-3-yl)butan-1-ol

C8H14N2O — CID 82467857

IUPAC3-amino-3-(1H-pyrrol-3-yl)butan-1-ol
SMILESCC(N)(CCO)c1cc[nH]c1
InChIInChI=1S/C8H14N2O/c1-8(9,3-5-11)7-2-4-10-6-7/h2,4,6,10-11H,3,5,9H2,1H3
InChIKeyXRCWNAMKTZBNHS-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.57
Rot. Bonds3

About 3-amino-3-(1H-pyrrol-3-yl)butan-1-ol

3-amino-3-(1H-pyrrol-3-yl)butan-1-ol (PubChem CID 82467857) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-amino-3-(1H-pyrrol-3-yl)butan-1-ol.

Molecular Properties

Compound Name3-amino-3-(1H-pyrrol-3-yl)butan-1-ol
PubChem CID82467857
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-amino-3-(1H-pyrrol-3-yl)butan-1-ol
SMILESCC(N)(CCO)c1cc[nH]c1
InChIInChI=1S/C8H14N2O/c1-8(9,3-5-11)7-2-4-10-6-7/h2,4,6,10-11H,3,5,9H2,1H3
InChIKeyXRCWNAMKTZBNHS-UHFFFAOYSA-N
XLogP0.57
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(1H-pyrrol-3-yl)butan-1-ol?
The IUPAC name of 3-amino-3-(1H-pyrrol-3-yl)butan-1-ol (CID 82467857) is 3-amino-3-(1H-pyrrol-3-yl)butan-1-ol.
What is the SMILES notation for 3-amino-3-(1H-pyrrol-3-yl)butan-1-ol?
The canonical SMILES for 3-amino-3-(1H-pyrrol-3-yl)butan-1-ol is CC(N)(CCO)c1cc[nH]c1.
What is the InChIKey of 3-amino-3-(1H-pyrrol-3-yl)butan-1-ol?
The InChIKey is XRCWNAMKTZBNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(9,3-5-11)7-2-4-10-6-7/h2,4,6,10-11H,3,5,9H2,1H3.
What are the key properties of 3-amino-3-(1H-pyrrol-3-yl)butan-1-ol?
3-amino-3-(1H-pyrrol-3-yl)butan-1-ol has a molecular weight of 154.21 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(1H-pyrrol-3-yl)butan-1-ol is sourced from PubChem (CID 82467857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).