(1E)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-one

C13H14O — CID 142003176

IUPAC(1E)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-one
SMILESCC(=O)/C=C1\CCCc2ccccc21
InChIInChI=1S/C13H14O/c1-10(14)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-3,5,8-9H,4,6-7H2,1H3/b12-9+
InChIKeyACDGWTFWHAKEJF-FMIVXFBMSA-N
MW186.25 g/mol
LogP3.00
Rot. Bonds1

About (1E)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-one

(1E)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-one (PubChem CID 142003176) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is (1E)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-one.

Molecular Properties

Compound Name(1E)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-one
PubChem CID142003176
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name(1E)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-one
SMILESCC(=O)/C=C1\CCCc2ccccc21
InChIInChI=1S/C13H14O/c1-10(14)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-3,5,8-9H,4,6-7H2,1H3/b12-9+
InChIKeyACDGWTFWHAKEJF-FMIVXFBMSA-N
XLogP3.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-methoxy-N-methylacetamide
CID 89186120
(1Z)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-ol
CID 103971061
4-[[3-methyl-4-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)but-2-enoyl]amino]benzoic acid
CID 72598603
(2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)propanoic acid
CID 135039237
4-butylidene-2,3-dihydro-1H-naphthalene
CID 123805104
ethyl (2Z)-2-(2,3-dihydroinden-1-ylidene)acetate
CID 23288817
N-[1-(3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide
CID 70236662
(1Z)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)propan-2-one
CID 116532637
3-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-1-amine
CID 76997136
(E,4Z)-4-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)but-2-enal
CID 19013076
acetic acid;8,9-dihydro-7H-benzo[7]annulen-5-ol
CID 66934333
methyl (2E)-2-(7-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetate
CID 82543772

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-one?
The IUPAC name of (1E)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-one (CID 142003176) is (1E)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-one.
What is the SMILES notation for (1E)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-one?
The canonical SMILES for (1E)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-one is CC(=O)/C=C1\CCCc2ccccc21.
What is the InChIKey of (1E)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-one?
The InChIKey is ACDGWTFWHAKEJF-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H14O/c1-10(14)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-3,5,8-9H,4,6-7H2,1H3/b12-9+.
What are the key properties of (1E)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-one?
(1E)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-one has a molecular weight of 186.25 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-one is sourced from PubChem (CID 142003176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).