1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanone

C10H17NO — CID 117205955

IUPAC1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanone
SMILESCC(=O)C1=CCN(C(C)C)CC1
InChIInChI=1S/C10H17NO/c1-8(2)11-6-4-10(5-7-11)9(3)12/h4,8H,5-7H2,1-3H3
InChIKeyMDANNBPLEWQNOD-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.62
Rot. Bonds2

About 1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanone

1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanone (PubChem CID 117205955) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanone
PubChem CID117205955
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanone
SMILESCC(=O)C1=CCN(C(C)C)CC1
InChIInChI=1S/C10H17NO/c1-8(2)11-6-4-10(5-7-11)9(3)12/h4,8H,5-7H2,1-3H3
InChIKeyMDANNBPLEWQNOD-UHFFFAOYSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,1-di(propan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 90380826
1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanone;oxalic acid
CID 11983341
ethane;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 166546302
4-(bromomethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 117205525
4-(2-methylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 122599461
(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl) trifluoromethanesulfonate
CID 90097842
1-propan-2-yl-4-propan-2-ylidenepiperidine
CID 58355811
1-(4-propan-2-ylcyclohexen-1-yl)ethanone
CID 153373666
propan-2-one;1-propan-2-ylpyrrolidine
CID 160872903
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
CID 82364097
1-methoxycarbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 70614874
N-methyl-4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine
CID 117205765

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanone?
The IUPAC name of 1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanone (CID 117205955) is 1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanone.
What is the SMILES notation for 1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanone?
The canonical SMILES for 1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanone is CC(=O)C1=CCN(C(C)C)CC1.
What is the InChIKey of 1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanone?
The InChIKey is MDANNBPLEWQNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)11-6-4-10(5-7-11)9(3)12/h4,8H,5-7H2,1-3H3.
What are the key properties of 1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanone?
1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanone has a molecular weight of 167.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanone is sourced from PubChem (CID 117205955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).