1-(3,4-dihydro-2H-pyridin-1-yl)pentan-1-one

C10H17NO — CID 167048695

IUPAC1-(3,4-dihydro-2H-pyridin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1C=CCCC1
InChIInChI=1S/C10H17NO/c1-2-3-7-10(12)11-8-5-4-6-9-11/h5,8H,2-4,6-7,9H2,1H3
InChIKeyJCDKVMHALORMCQ-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.31
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyridin-1-yl)pentan-1-one

1-(3,4-dihydro-2H-pyridin-1-yl)pentan-1-one (PubChem CID 167048695) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyridin-1-yl)pentan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyridin-1-yl)pentan-1-one
PubChem CID167048695
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(3,4-dihydro-2H-pyridin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1C=CCCC1
InChIInChI=1S/C10H17NO/c1-2-3-7-10(12)11-8-5-4-6-9-11/h5,8H,2-4,6-7,9H2,1H3
InChIKeyJCDKVMHALORMCQ-UHFFFAOYSA-N
XLogP2.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyridin-1-yl)pentan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyridin-1-yl)pentan-1-one (CID 167048695) is 1-(3,4-dihydro-2H-pyridin-1-yl)pentan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyridin-1-yl)pentan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyridin-1-yl)pentan-1-one is CCCCC(=O)N1C=CCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyridin-1-yl)pentan-1-one?
The InChIKey is JCDKVMHALORMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-7-10(12)11-8-5-4-6-9-11/h5,8H,2-4,6-7,9H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyridin-1-yl)pentan-1-one?
1-(3,4-dihydro-2H-pyridin-1-yl)pentan-1-one has a molecular weight of 167.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyridin-1-yl)pentan-1-one is sourced from PubChem (CID 167048695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).