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

C7H12N2O — CID 82280085

IUPAC3-amino-1-(1H-pyrrol-3-yl)propan-1-ol
SMILESNCCC(O)c1cc[nH]c1
InChIInChI=1S/C7H12N2O/c8-3-1-7(10)6-2-4-9-5-6/h2,4-5,7,9-10H,1,3,8H2
InChIKeyZPWMUYSJDFTCQO-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.40
Rot. Bonds3

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

3-amino-1-(1H-pyrrol-3-yl)propan-1-ol (PubChem CID 82280085) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-amino-1-(1H-pyrrol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(1H-pyrrol-3-yl)propan-1-ol
PubChem CID82280085
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-amino-1-(1H-pyrrol-3-yl)propan-1-ol
SMILESNCCC(O)c1cc[nH]c1
InChIInChI=1S/C7H12N2O/c8-3-1-7(10)6-2-4-9-5-6/h2,4-5,7,9-10H,1,3,8H2
InChIKeyZPWMUYSJDFTCQO-UHFFFAOYSA-N
XLogP0.40
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1H-pyrrol-3-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(1H-pyrrol-3-yl)propan-1-ol (CID 82280085) is 3-amino-1-(1H-pyrrol-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(1H-pyrrol-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(1H-pyrrol-3-yl)propan-1-ol is NCCC(O)c1cc[nH]c1.
What is the InChIKey of 3-amino-1-(1H-pyrrol-3-yl)propan-1-ol?
The InChIKey is ZPWMUYSJDFTCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c8-3-1-7(10)6-2-4-9-5-6/h2,4-5,7,9-10H,1,3,8H2.
What are the key properties of 3-amino-1-(1H-pyrrol-3-yl)propan-1-ol?
3-amino-1-(1H-pyrrol-3-yl)propan-1-ol has a molecular weight of 140.19 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1H-pyrrol-3-yl)propan-1-ol is sourced from PubChem (CID 82280085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).