(1S)-4-oxo-2,3-dihydro-1H-naphthalene-1-carbonyl chloride

C11H9ClO2 — CID 129384217

IUPAC(1S)-4-oxo-2,3-dihydro-1H-naphthalene-1-carbonyl chloride
SMILESO=C1CC[C@H](C(=O)Cl)c2ccccc21
InChIInChI=1S/C11H9ClO2/c12-11(14)9-5-6-10(13)8-4-2-1-3-7(8)9/h1-4,9H,5-6H2/t9-/m0/s1
InChIKeyXTEFWFOUKZEXAU-VIFPVBQESA-N
MW208.64 g/mol
LogP2.51
Rot. Bonds1

About (1S)-4-oxo-2,3-dihydro-1H-naphthalene-1-carbonyl chloride

(1S)-4-oxo-2,3-dihydro-1H-naphthalene-1-carbonyl chloride (PubChem CID 129384217) has the molecular formula C11H9ClO2 and a molecular weight of 208.64 g/mol. Its IUPAC name is (1S)-4-oxo-2,3-dihydro-1H-naphthalene-1-carbonyl chloride.

Molecular Properties

Compound Name(1S)-4-oxo-2,3-dihydro-1H-naphthalene-1-carbonyl chloride
PubChem CID129384217
Molecular FormulaC11H9ClO2
Molecular Weight208.64 g/mol
Exact Mass208.03
IUPAC Name(1S)-4-oxo-2,3-dihydro-1H-naphthalene-1-carbonyl chloride
SMILESO=C1CC[C@H](C(=O)Cl)c2ccccc21
InChIInChI=1S/C11H9ClO2/c12-11(14)9-5-6-10(13)8-4-2-1-3-7(8)9/h1-4,9H,5-6H2/t9-/m0/s1
InChIKeyXTEFWFOUKZEXAU-VIFPVBQESA-N
XLogP2.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-propanoyl-3,4-dihydro-2H-naphthalen-1-one
CID 20592810
(4S)-4-(2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 129258085
(1R)-N-[(R)-(2-chlorophenyl)-cyanomethyl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide
CID 124846706
4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one
CID 15132423
(1S)-N-[(2R)-1-hydroxy-2-methylpentan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide
CID 124841595
N-[3-(cyclobutanecarbonylamino)propyl]-N-methyl-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide
CID 122133907
2,2,2-trifluoro-N-[(1S)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide
CID 86686673
methyl 2-oxotricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene-9-carboxylate
CID 102398113
11-fluoro-6,7,8,9,10,11-hexahydrobenzo[9]annulen-5-one
CID 134861406
2-(2-hydroxyphenyl)cyclobutan-1-one
CID 14245733
3-oxo-N-phenyl-1,2-dihydroindene-1-carboxamide
CID 154839553
N-methyl-N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)formamide
CID 19377150

Frequently Asked Questions

What is the IUPAC name of (1S)-4-oxo-2,3-dihydro-1H-naphthalene-1-carbonyl chloride?
The IUPAC name of (1S)-4-oxo-2,3-dihydro-1H-naphthalene-1-carbonyl chloride (CID 129384217) is (1S)-4-oxo-2,3-dihydro-1H-naphthalene-1-carbonyl chloride.
What is the SMILES notation for (1S)-4-oxo-2,3-dihydro-1H-naphthalene-1-carbonyl chloride?
The canonical SMILES for (1S)-4-oxo-2,3-dihydro-1H-naphthalene-1-carbonyl chloride is O=C1CC[C@H](C(=O)Cl)c2ccccc21.
What is the InChIKey of (1S)-4-oxo-2,3-dihydro-1H-naphthalene-1-carbonyl chloride?
The InChIKey is XTEFWFOUKZEXAU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H9ClO2/c12-11(14)9-5-6-10(13)8-4-2-1-3-7(8)9/h1-4,9H,5-6H2/t9-/m0/s1.
What are the key properties of (1S)-4-oxo-2,3-dihydro-1H-naphthalene-1-carbonyl chloride?
(1S)-4-oxo-2,3-dihydro-1H-naphthalene-1-carbonyl chloride has a molecular weight of 208.64 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-oxo-2,3-dihydro-1H-naphthalene-1-carbonyl chloride is sourced from PubChem (CID 129384217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).