1-(5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone

C10H17NO — CID 58691721

IUPAC1-(5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC(=O)N1CCC=C(C(C)C)C1
InChIInChI=1S/C10H17NO/c1-8(2)10-5-4-6-11(7-10)9(3)12/h5,8H,4,6-7H2,1-3H3
InChIKeyINZCFCYJGJGWDP-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.82
Rot. Bonds1

About 1-(5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone

1-(5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 58691721) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID58691721
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC(=O)N1CCC=C(C(C)C)C1
InChIInChI=1S/C10H17NO/c1-8(2)10-5-4-6-11(7-10)9(3)12/h5,8H,4,6-7H2,1-3H3
InChIKeyINZCFCYJGJGWDP-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 1-(5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 58691721) is 1-(5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 1-(5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone is CC(=O)N1CCC=C(C(C)C)C1.
What is the InChIKey of 1-(5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is INZCFCYJGJGWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)10-5-4-6-11(7-10)9(3)12/h5,8H,4,6-7H2,1-3H3.
What are the key properties of 1-(5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
1-(5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 167.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 58691721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).