(1R)-1-(3-oxobutyl)-3,4-dihydro-1H-naphthalen-2-one

C14H16O2 — CID 150600443

IUPAC(1R)-1-(3-oxobutyl)-3,4-dihydro-1H-naphthalen-2-one
SMILESCC(=O)CC[C@H]1C(=O)CCc2ccccc21
InChIInChI=1S/C14H16O2/c1-10(15)6-8-13-12-5-3-2-4-11(12)7-9-14(13)16/h2-5,13H,6-9H2,1H3/t13-/m1/s1
InChIKeyIRTKICMAAPSTKL-CYBMUJFWSA-N
MW216.28 g/mol
LogP2.65
Rot. Bonds3

About (1R)-1-(3-oxobutyl)-3,4-dihydro-1H-naphthalen-2-one

(1R)-1-(3-oxobutyl)-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 150600443) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (1R)-1-(3-oxobutyl)-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name(1R)-1-(3-oxobutyl)-3,4-dihydro-1H-naphthalen-2-one
PubChem CID150600443
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(1R)-1-(3-oxobutyl)-3,4-dihydro-1H-naphthalen-2-one
SMILESCC(=O)CC[C@H]1C(=O)CCc2ccccc21
InChIInChI=1S/C14H16O2/c1-10(15)6-8-13-12-5-3-2-4-11(12)7-9-14(13)16/h2-5,13H,6-9H2,1H3/t13-/m1/s1
InChIKeyIRTKICMAAPSTKL-CYBMUJFWSA-N
XLogP2.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)butan-2-one
CID 83985204
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanoic acid
CID 83985074
ethane;4-(9H-fluoren-9-yl)butan-2-one
CID 143985685
4-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-2-one
CID 79429274
1-(2-oxo-3,4-dihydro-1H-naphthalene-1-carbonyl)-3,4-dihydro-1H-naphthalen-2-one
CID 175094651
8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one
CID 141082859
3-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid
CID 83985117
2-(3-oxo-3-phenylpropyl)cyclopentane-1,3-dione
CID 101408905
2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium
CID 7009453
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxopentanoate
CID 8613358
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethanone
CID 26394370
methyl N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]carbamate
CID 70238152

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-oxobutyl)-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of (1R)-1-(3-oxobutyl)-3,4-dihydro-1H-naphthalen-2-one (CID 150600443) is (1R)-1-(3-oxobutyl)-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for (1R)-1-(3-oxobutyl)-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for (1R)-1-(3-oxobutyl)-3,4-dihydro-1H-naphthalen-2-one is CC(=O)CC[C@H]1C(=O)CCc2ccccc21.
What is the InChIKey of (1R)-1-(3-oxobutyl)-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is IRTKICMAAPSTKL-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16O2/c1-10(15)6-8-13-12-5-3-2-4-11(12)7-9-14(13)16/h2-5,13H,6-9H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-(3-oxobutyl)-3,4-dihydro-1H-naphthalen-2-one?
(1R)-1-(3-oxobutyl)-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-oxobutyl)-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 150600443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).