1-(1,2,3,4-tetrahydropyridin-2-yl)propan-2-one

C8H13NO — CID 67693750

IUPAC1-(1,2,3,4-tetrahydropyridin-2-yl)propan-2-one
SMILESCC(=O)CC1CCC=CN1
InChIInChI=1S/C8H13NO/c1-7(10)6-8-4-2-3-5-9-8/h3,5,8-9H,2,4,6H2,1H3
InChIKeyPRBVSOXWRAAWGD-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.23
Rot. Bonds2

About 1-(1,2,3,4-tetrahydropyridin-2-yl)propan-2-one

1-(1,2,3,4-tetrahydropyridin-2-yl)propan-2-one (PubChem CID 67693750) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydropyridin-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydropyridin-2-yl)propan-2-one
PubChem CID67693750
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(1,2,3,4-tetrahydropyridin-2-yl)propan-2-one
SMILESCC(=O)CC1CCC=CN1
InChIInChI=1S/C8H13NO/c1-7(10)6-8-4-2-3-5-9-8/h3,5,8-9H,2,4,6H2,1H3
InChIKeyPRBVSOXWRAAWGD-UHFFFAOYSA-N
XLogP1.23
TPSA29.10 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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydropyridin-2-yl)propan-2-one?
The IUPAC name of 1-(1,2,3,4-tetrahydropyridin-2-yl)propan-2-one (CID 67693750) is 1-(1,2,3,4-tetrahydropyridin-2-yl)propan-2-one.
What is the SMILES notation for 1-(1,2,3,4-tetrahydropyridin-2-yl)propan-2-one?
The canonical SMILES for 1-(1,2,3,4-tetrahydropyridin-2-yl)propan-2-one is CC(=O)CC1CCC=CN1.
What is the InChIKey of 1-(1,2,3,4-tetrahydropyridin-2-yl)propan-2-one?
The InChIKey is PRBVSOXWRAAWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7(10)6-8-4-2-3-5-9-8/h3,5,8-9H,2,4,6H2,1H3.
What are the key properties of 1-(1,2,3,4-tetrahydropyridin-2-yl)propan-2-one?
1-(1,2,3,4-tetrahydropyridin-2-yl)propan-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydropyridin-2-yl)propan-2-one is sourced from PubChem (CID 67693750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).