1-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one

C10H16INO — CID 138702181

IUPAC1-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CC=C(I)CC1
InChIInChI=1S/C10H16INO/c1-2-3-4-10(13)12-7-5-9(11)6-8-12/h5H,2-4,6-8H2,1H3
InChIKeyOBACJSDAYGVGEC-UHFFFAOYSA-N
MW293.15 g/mol
LogP2.73
Rot. Bonds3

About 1-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one

1-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one (PubChem CID 138702181) has the molecular formula C10H16INO and a molecular weight of 293.15 g/mol. Its IUPAC name is 1-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one.

Molecular Properties

Compound Name1-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
PubChem CID138702181
Molecular FormulaC10H16INO
Molecular Weight293.15 g/mol
Exact Mass293.03
IUPAC Name1-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CC=C(I)CC1
InChIInChI=1S/C10H16INO/c1-2-3-4-10(13)12-7-5-9(11)6-8-12/h5H,2-4,6-8H2,1H3
InChIKeyOBACJSDAYGVGEC-UHFFFAOYSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
The IUPAC name of 1-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one (CID 138702181) is 1-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one.
What is the SMILES notation for 1-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
The canonical SMILES for 1-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one is CCCCC(=O)N1CC=C(I)CC1.
What is the InChIKey of 1-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
The InChIKey is OBACJSDAYGVGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16INO/c1-2-3-4-10(13)12-7-5-9(11)6-8-12/h5H,2-4,6-8H2,1H3.
What are the key properties of 1-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
1-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one has a molecular weight of 293.15 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one is sourced from PubChem (CID 138702181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).