1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-ol

C8H15NO — CID 70613755

IUPAC1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
SMILESCCC(O)N1CC=CCC1
InChIInChI=1S/C8H15NO/c1-2-8(10)9-6-4-3-5-7-9/h3-4,8,10H,2,5-7H2,1H3
InChIKeyIJBVFKDUCORCPU-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.98
Rot. Bonds2

About 1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-ol

1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-ol (PubChem CID 70613755) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
PubChem CID70613755
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
SMILESCCC(O)N1CC=CCC1
InChIInChI=1S/C8H15NO/c1-2-8(10)9-6-4-3-5-7-9/h3-4,8,10H,2,5-7H2,1H3
InChIKeyIJBVFKDUCORCPU-UHFFFAOYSA-N
XLogP0.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-ol?
The IUPAC name of 1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-ol (CID 70613755) is 1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-ol?
The canonical SMILES for 1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-ol is CCC(O)N1CC=CCC1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-ol?
The InChIKey is IJBVFKDUCORCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-8(10)9-6-4-3-5-7-9/h3-4,8,10H,2,5-7H2,1H3.
What are the key properties of 1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-ol?
1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-ol is sourced from PubChem (CID 70613755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).