3-naphthalen-2-ylbut-2-enoyl chloride

C14H11ClO — CID 91215732

IUPAC3-naphthalen-2-ylbut-2-enoyl chloride
SMILESCC(=CC(=O)Cl)c1ccc2ccccc2c1
InChIInChI=1S/C14H11ClO/c1-10(8-14(15)16)12-7-6-11-4-2-3-5-13(11)9-12/h2-9H,1H3
InChIKeyDBZSKMGYRKKNEZ-UHFFFAOYSA-N
MW230.69 g/mol
LogP4.01
Rot. Bonds2

About 3-naphthalen-2-ylbut-2-enoyl chloride

3-naphthalen-2-ylbut-2-enoyl chloride (PubChem CID 91215732) has the molecular formula C14H11ClO and a molecular weight of 230.69 g/mol. Its IUPAC name is 3-naphthalen-2-ylbut-2-enoyl chloride.

Molecular Properties

Compound Name3-naphthalen-2-ylbut-2-enoyl chloride
PubChem CID91215732
Molecular FormulaC14H11ClO
Molecular Weight230.69 g/mol
Exact Mass230.05
IUPAC Name3-naphthalen-2-ylbut-2-enoyl chloride
SMILESCC(=CC(=O)Cl)c1ccc2ccccc2c1
InChIInChI=1S/C14H11ClO/c1-10(8-14(15)16)12-7-6-11-4-2-3-5-13(11)9-12/h2-9H,1H3
InChIKeyDBZSKMGYRKKNEZ-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-naphthalen-2-ylbut-2-enoate
CID 54449907
(E)-2-naphthalen-2-ylprop-1-en-1-ol
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CID 145347893
2-naphthalen-2-yl-2-oxoacetyl chloride
CID 19347531
2-[(E)-1-nitroprop-1-en-2-yl]naphthalene
CID 25033772
dinaphthalen-2-ylmethanone
CID 10945915
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
(E)-1-naphthalen-2-ylpent-2-ene-1,4-dione
CID 102019956
methyl (2E,4E)-2-methoxy-5-naphthalen-2-ylhexa-2,4-dienoate
CID 139785095
2-(1-phenoxyprop-1-en-2-yl)naphthalene
CID 175768409
N-[(Z)-4-naphthalen-2-yl-4-oxobut-2-en-2-yl]acetamide
CID 101486753
naphthalene-2-carboxylic acid
CID 175967775

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-ylbut-2-enoyl chloride?
The IUPAC name of 3-naphthalen-2-ylbut-2-enoyl chloride (CID 91215732) is 3-naphthalen-2-ylbut-2-enoyl chloride.
What is the SMILES notation for 3-naphthalen-2-ylbut-2-enoyl chloride?
The canonical SMILES for 3-naphthalen-2-ylbut-2-enoyl chloride is CC(=CC(=O)Cl)c1ccc2ccccc2c1.
What is the InChIKey of 3-naphthalen-2-ylbut-2-enoyl chloride?
The InChIKey is DBZSKMGYRKKNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO/c1-10(8-14(15)16)12-7-6-11-4-2-3-5-13(11)9-12/h2-9H,1H3.
What are the key properties of 3-naphthalen-2-ylbut-2-enoyl chloride?
3-naphthalen-2-ylbut-2-enoyl chloride has a molecular weight of 230.69 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-ylbut-2-enoyl chloride is sourced from PubChem (CID 91215732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).