3-[3-(1H-pyrrol-3-yl)oxetan-3-yl]propan-1-amine

C10H16N2O — CID 116870061

IUPAC3-[3-(1H-pyrrol-3-yl)oxetan-3-yl]propan-1-amine
SMILESNCCCC1(c2cc[nH]c2)COC1
InChIInChI=1S/C10H16N2O/c11-4-1-3-10(7-13-8-10)9-2-5-12-6-9/h2,5-6,12H,1,3-4,7-8,11H2
InChIKeyBGAOFFRIBXYORD-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.02
Rot. Bonds4

About 3-[3-(1H-pyrrol-3-yl)oxetan-3-yl]propan-1-amine

3-[3-(1H-pyrrol-3-yl)oxetan-3-yl]propan-1-amine (PubChem CID 116870061) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-[3-(1H-pyrrol-3-yl)oxetan-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(1H-pyrrol-3-yl)oxetan-3-yl]propan-1-amine
PubChem CID116870061
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-[3-(1H-pyrrol-3-yl)oxetan-3-yl]propan-1-amine
SMILESNCCCC1(c2cc[nH]c2)COC1
InChIInChI=1S/C10H16N2O/c11-4-1-3-10(7-13-8-10)9-2-5-12-6-9/h2,5-6,12H,1,3-4,7-8,11H2
InChIKeyBGAOFFRIBXYORD-UHFFFAOYSA-N
XLogP1.02
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-pyrrol-3-yl)oxetan-3-yl]propan-1-amine?
The IUPAC name of 3-[3-(1H-pyrrol-3-yl)oxetan-3-yl]propan-1-amine (CID 116870061) is 3-[3-(1H-pyrrol-3-yl)oxetan-3-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(1H-pyrrol-3-yl)oxetan-3-yl]propan-1-amine?
The canonical SMILES for 3-[3-(1H-pyrrol-3-yl)oxetan-3-yl]propan-1-amine is NCCCC1(c2cc[nH]c2)COC1.
What is the InChIKey of 3-[3-(1H-pyrrol-3-yl)oxetan-3-yl]propan-1-amine?
The InChIKey is BGAOFFRIBXYORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c11-4-1-3-10(7-13-8-10)9-2-5-12-6-9/h2,5-6,12H,1,3-4,7-8,11H2.
What are the key properties of 3-[3-(1H-pyrrol-3-yl)oxetan-3-yl]propan-1-amine?
3-[3-(1H-pyrrol-3-yl)oxetan-3-yl]propan-1-amine has a molecular weight of 180.25 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-pyrrol-3-yl)oxetan-3-yl]propan-1-amine is sourced from PubChem (CID 116870061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).