3-acetyl-1H-naphthalen-2-one

C12H10O2 — CID 143739602

IUPAC3-acetyl-1H-naphthalen-2-one
SMILESCC(=O)C1=Cc2ccccc2CC1=O
InChIInChI=1S/C12H10O2/c1-8(13)11-6-9-4-2-3-5-10(9)7-12(11)14/h2-6H,7H2,1H3
InChIKeyGNPAMNQQESVGKY-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.78
Rot. Bonds1

About 3-acetyl-1H-naphthalen-2-one

3-acetyl-1H-naphthalen-2-one (PubChem CID 143739602) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-acetyl-1H-naphthalen-2-one.

Molecular Properties

Compound Name3-acetyl-1H-naphthalen-2-one
PubChem CID143739602
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name3-acetyl-1H-naphthalen-2-one
SMILESCC(=O)C1=Cc2ccccc2CC1=O
InChIInChI=1S/C12H10O2/c1-8(13)11-6-9-4-2-3-5-10(9)7-12(11)14/h2-6H,7H2,1H3
InChIKeyGNPAMNQQESVGKY-UHFFFAOYSA-N
XLogP1.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1H-naphthalen-2-one;molecular hydrogen
CID 145302214
N-propan-2-yl-1H-indene-2-carboxamide
CID 141124355
ethane;2-methyl-1H-indene
CID 54388135
1H-inden-2-yl(methyl)carbamic acid
CID 139917777
1-(2,3-dimethyl-1H-naphthalen-2-yl)ethanone
CID 102244322
dilithium;hydride;2-methyl-1H-indene
CID 174389256
2-methyl-1H-indene;titanium(3+);trichloride
CID 157408587
1H-inden-2-ol;titanium
CID 174394573
hydron;1H-inden-2-ol
CID 174469237
ethyl 1H-indene-2-carboxylate
CID 15378309
8-oxo-7,9-dihydrobenzo[7]annulene-6-carbonitrile
CID 10261777
CID 143131255
CID 143131255

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1H-naphthalen-2-one?
The IUPAC name of 3-acetyl-1H-naphthalen-2-one (CID 143739602) is 3-acetyl-1H-naphthalen-2-one.
What is the SMILES notation for 3-acetyl-1H-naphthalen-2-one?
The canonical SMILES for 3-acetyl-1H-naphthalen-2-one is CC(=O)C1=Cc2ccccc2CC1=O.
What is the InChIKey of 3-acetyl-1H-naphthalen-2-one?
The InChIKey is GNPAMNQQESVGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c1-8(13)11-6-9-4-2-3-5-10(9)7-12(11)14/h2-6H,7H2,1H3.
What are the key properties of 3-acetyl-1H-naphthalen-2-one?
3-acetyl-1H-naphthalen-2-one has a molecular weight of 186.21 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1H-naphthalen-2-one is sourced from PubChem (CID 143739602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).