3-(azetidin-1-ium-3-yl)propan-1-ol

C6H14NO+ — CID 156738972

IUPAC3-(azetidin-1-ium-3-yl)propan-1-ol
SMILESOCCCC1C[NH2+]C1
InChIInChI=1S/C6H13NO/c8-3-1-2-6-4-7-5-6/h6-8H,1-5H2/p+1
InChIKeyBFNCRQNQIOVYBQ-UHFFFAOYSA-O
MW116.18 g/mol
LogP-1.05
Rot. Bonds3

About 3-(azetidin-1-ium-3-yl)propan-1-ol

3-(azetidin-1-ium-3-yl)propan-1-ol (PubChem CID 156738972) has the molecular formula C6H14NO+ and a molecular weight of 116.18 g/mol. Its IUPAC name is 3-(azetidin-1-ium-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(azetidin-1-ium-3-yl)propan-1-ol
PubChem CID156738972
Molecular FormulaC6H14NO+
Molecular Weight116.18 g/mol
Exact Mass116.11
IUPAC Name3-(azetidin-1-ium-3-yl)propan-1-ol
SMILESOCCCC1C[NH2+]C1
InChIInChI=1S/C6H13NO/c8-3-1-2-6-4-7-5-6/h6-8H,1-5H2/p+1
InChIKeyBFNCRQNQIOVYBQ-UHFFFAOYSA-O
XLogP-1.05
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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3-[3-(3-ethylcyclopentyl)cyclopentyl]propan-1-ol
CID 142767370
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CID 20529882
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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-ium-3-yl)propan-1-ol?
The IUPAC name of 3-(azetidin-1-ium-3-yl)propan-1-ol (CID 156738972) is 3-(azetidin-1-ium-3-yl)propan-1-ol.
What is the SMILES notation for 3-(azetidin-1-ium-3-yl)propan-1-ol?
The canonical SMILES for 3-(azetidin-1-ium-3-yl)propan-1-ol is OCCCC1C[NH2+]C1.
What is the InChIKey of 3-(azetidin-1-ium-3-yl)propan-1-ol?
The InChIKey is BFNCRQNQIOVYBQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13NO/c8-3-1-2-6-4-7-5-6/h6-8H,1-5H2/p+1.
What are the key properties of 3-(azetidin-1-ium-3-yl)propan-1-ol?
3-(azetidin-1-ium-3-yl)propan-1-ol has a molecular weight of 116.18 g/mol, XLogP of -1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-ium-3-yl)propan-1-ol is sourced from PubChem (CID 156738972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).