(2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)propanoic acid

C13H14O2 — CID 135039237

IUPAC(2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)propanoic acid
SMILESC/C(C(=O)O)=C1/CCCc2ccccc21
InChIInChI=1S/C13H14O2/c1-9(13(14)15)11-8-4-6-10-5-2-3-7-12(10)11/h2-3,5,7H,4,6,8H2,1H3,(H,14,15)/b11-9+
InChIKeyULVLOYZABWGVJG-PKNBQFBNSA-N
MW202.25 g/mol
LogP2.88
Rot. Bonds1

About (2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)propanoic acid

(2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)propanoic acid (PubChem CID 135039237) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)propanoic acid.

Molecular Properties

Compound Name(2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)propanoic acid
PubChem CID135039237
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)propanoic acid
SMILESC/C(C(=O)O)=C1/CCCc2ccccc21
InChIInChI=1S/C13H14O2/c1-9(13(14)15)11-8-4-6-10-5-2-3-7-12(10)11/h2-3,5,7H,4,6,8H2,1H3,(H,14,15)/b11-9+
InChIKeyULVLOYZABWGVJG-PKNBQFBNSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide
CID 70236662
(2E)-2-(2,3-dihydrochromen-4-ylidene)propanoic acid
CID 131557201
(1E)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-one
CID 142003176
acetic acid;8,9-dihydro-7H-benzo[7]annulen-5-ol
CID 66934333
(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)propanoic acid
CID 116531411
carbonic acid;1,2,3,4-tetrahydronaphthalene
CID 175229813
tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid
CID 13281341
9,10-dihydrophenanthrene;ethane
CID 143759681
2,3-dihydroinden-1-ylidenemethanediol
CID 14337503
acetic acid;azane;9H-fluorene
CID 174966259
1-(4-amino-5-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-3-yl)ethanone
CID 65354731
3,4-dihydro-2H-naphthalen-1-one;2,2,2-trifluoroacetamide
CID 143654538

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)propanoic acid?
The IUPAC name of (2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)propanoic acid (CID 135039237) is (2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)propanoic acid.
What is the SMILES notation for (2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)propanoic acid?
The canonical SMILES for (2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)propanoic acid is C/C(C(=O)O)=C1/CCCc2ccccc21.
What is the InChIKey of (2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)propanoic acid?
The InChIKey is ULVLOYZABWGVJG-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H14O2/c1-9(13(14)15)11-8-4-6-10-5-2-3-7-12(10)11/h2-3,5,7H,4,6,8H2,1H3,(H,14,15)/b11-9+.
What are the key properties of (2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)propanoic acid?
(2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)propanoic acid has a molecular weight of 202.25 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)propanoic acid is sourced from PubChem (CID 135039237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).