1-(2,3-dihydropyridin-5-yl)propan-1-ol

C8H13NO — CID 89150639

IUPAC1-(2,3-dihydropyridin-5-yl)propan-1-ol
SMILESCCC(O)C1=CCCN=C1
InChIInChI=1S/C8H13NO/c1-2-8(10)7-4-3-5-9-6-7/h4,6,8,10H,2-3,5H2,1H3
InChIKeyOYDVUMSZXZENDE-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.16
Rot. Bonds2

About 1-(2,3-dihydropyridin-5-yl)propan-1-ol

1-(2,3-dihydropyridin-5-yl)propan-1-ol (PubChem CID 89150639) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(2,3-dihydropyridin-5-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydropyridin-5-yl)propan-1-ol
PubChem CID89150639
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(2,3-dihydropyridin-5-yl)propan-1-ol
SMILESCCC(O)C1=CCCN=C1
InChIInChI=1S/C8H13NO/c1-2-8(10)7-4-3-5-9-6-7/h4,6,8,10H,2-3,5H2,1H3
InChIKeyOYDVUMSZXZENDE-UHFFFAOYSA-N
XLogP1.16
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyridin-5-yl)propan-1-ol?
The IUPAC name of 1-(2,3-dihydropyridin-5-yl)propan-1-ol (CID 89150639) is 1-(2,3-dihydropyridin-5-yl)propan-1-ol.
What is the SMILES notation for 1-(2,3-dihydropyridin-5-yl)propan-1-ol?
The canonical SMILES for 1-(2,3-dihydropyridin-5-yl)propan-1-ol is CCC(O)C1=CCCN=C1.
What is the InChIKey of 1-(2,3-dihydropyridin-5-yl)propan-1-ol?
The InChIKey is OYDVUMSZXZENDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-8(10)7-4-3-5-9-6-7/h4,6,8,10H,2-3,5H2,1H3.
What are the key properties of 1-(2,3-dihydropyridin-5-yl)propan-1-ol?
1-(2,3-dihydropyridin-5-yl)propan-1-ol has a molecular weight of 139.20 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyridin-5-yl)propan-1-ol is sourced from PubChem (CID 89150639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).