3-(1,2-dihydropyridin-6-yl)propan-1-ol

C8H13NO — CID 5242430

IUPAC3-(1,2-dihydropyridin-6-yl)propan-1-ol
SMILESOCCCC1=CC=CCN1
InChIInChI=1S/C8H13NO/c10-7-3-5-8-4-1-2-6-9-8/h1-2,4,9-10H,3,5-7H2
InChIKeyTZLBNUBDVBZHFT-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.80
Rot. Bonds3

About 3-(1,2-dihydropyridin-6-yl)propan-1-ol

3-(1,2-dihydropyridin-6-yl)propan-1-ol (PubChem CID 5242430) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-(1,2-dihydropyridin-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,2-dihydropyridin-6-yl)propan-1-ol
PubChem CID5242430
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-(1,2-dihydropyridin-6-yl)propan-1-ol
SMILESOCCCC1=CC=CCN1
InChIInChI=1S/C8H13NO/c10-7-3-5-8-4-1-2-6-9-8/h1-2,4,9-10H,3,5-7H2
InChIKeyTZLBNUBDVBZHFT-UHFFFAOYSA-N
XLogP0.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dihydropyridin-6-yl)propan-1-ol?
The IUPAC name of 3-(1,2-dihydropyridin-6-yl)propan-1-ol (CID 5242430) is 3-(1,2-dihydropyridin-6-yl)propan-1-ol.
What is the SMILES notation for 3-(1,2-dihydropyridin-6-yl)propan-1-ol?
The canonical SMILES for 3-(1,2-dihydropyridin-6-yl)propan-1-ol is OCCCC1=CC=CCN1.
What is the InChIKey of 3-(1,2-dihydropyridin-6-yl)propan-1-ol?
The InChIKey is TZLBNUBDVBZHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c10-7-3-5-8-4-1-2-6-9-8/h1-2,4,9-10H,3,5-7H2.
What are the key properties of 3-(1,2-dihydropyridin-6-yl)propan-1-ol?
3-(1,2-dihydropyridin-6-yl)propan-1-ol has a molecular weight of 139.20 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dihydropyridin-6-yl)propan-1-ol is sourced from PubChem (CID 5242430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).