(2R)-2-chloro-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one

C8H12ClNO — CID 93494142

IUPAC(2R)-2-chloro-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESC[C@@H](Cl)C(=O)N1CC=CCC1
InChIInChI=1S/C8H12ClNO/c1-7(9)8(11)10-5-3-2-4-6-10/h2-3,7H,4-6H2,1H3/t7-/m1/s1
InChIKeyOFQSOPCSNDRSCG-SSDOTTSWSA-N
MW173.64 g/mol
LogP1.40
Rot. Bonds1

About (2R)-2-chloro-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one

(2R)-2-chloro-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one (PubChem CID 93494142) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is (2R)-2-chloro-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-chloro-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one
PubChem CID93494142
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Name(2R)-2-chloro-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESC[C@@H](Cl)C(=O)N1CC=CCC1
InChIInChI=1S/C8H12ClNO/c1-7(9)8(11)10-5-3-2-4-6-10/h2-3,7H,4-6H2,1H3/t7-/m1/s1
InChIKeyOFQSOPCSNDRSCG-SSDOTTSWSA-N
XLogP1.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one
CID 104921204
(2R)-1-(3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-3-methylsulfanylpropan-1-one
CID 141045369
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 114408986
2-chloro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 106313518
2-chloro-1-pyrrolidin-1-ylpropan-1-one
CID 3276100
2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 115977074
(2S)-2-chloro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 93494250
(2R)-2-chloro-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 8000847
3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpentan-1-one
CID 114408795
5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 114409070
2-chloro-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3273405
2-[3,6-dihydro-2H-pyridine-1-carbonyl(propan-2-yl)amino]acetic acid
CID 114411684

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-chloro-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one (CID 93494142) is (2R)-2-chloro-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-chloro-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-chloro-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one is C[C@@H](Cl)C(=O)N1CC=CCC1.
What is the InChIKey of (2R)-2-chloro-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The InChIKey is OFQSOPCSNDRSCG-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12ClNO/c1-7(9)8(11)10-5-3-2-4-6-10/h2-3,7H,4-6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-chloro-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
(2R)-2-chloro-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one has a molecular weight of 173.64 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one is sourced from PubChem (CID 93494142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).