(2Z)-2-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)acetaldehyde

C12H11BrO — CID 121003853

IUPAC(2Z)-2-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)acetaldehyde
SMILESO=C/C=C1/CCCc2ccc(Br)cc21
InChIInChI=1S/C12H11BrO/c13-11-5-4-9-2-1-3-10(6-7-14)12(9)8-11/h4-8H,1-3H2/b10-6-
InChIKeyNTZCBVSJIKVFPN-POHAHGRESA-N
MW251.12 g/mol
LogP3.37
Rot. Bonds1

About (2Z)-2-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)acetaldehyde

(2Z)-2-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)acetaldehyde (PubChem CID 121003853) has the molecular formula C12H11BrO and a molecular weight of 251.12 g/mol. Its IUPAC name is (2Z)-2-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)acetaldehyde.

Molecular Properties

Compound Name(2Z)-2-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)acetaldehyde
PubChem CID121003853
Molecular FormulaC12H11BrO
Molecular Weight251.12 g/mol
Exact Mass250.00
IUPAC Name(2Z)-2-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)acetaldehyde
SMILESO=C/C=C1/CCCc2ccc(Br)cc21
InChIInChI=1S/C12H11BrO/c13-11-5-4-9-2-1-3-10(6-7-14)12(9)8-11/h4-8H,1-3H2/b10-6-
InChIKeyNTZCBVSJIKVFPN-POHAHGRESA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-(3-bromo-5-oxo-8,9-dihydro-7H-benzo[7]annulen-6-ylidene)acetic acid
CID 155676462
(2E)-2-(6-bromo-2,3-dihydroinden-1-ylidene)acetamide
CID 10956023
3-bromo-6-methylidene-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 89239604
(7-bromo-2-oxo-3,4-dihydronaphthalen-1-ylidene)rhodium
CID 166448024
3-bromo-5-methyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxylic acid
CID 71060936
7-bromo-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde
CID 115057503
(E,4Z)-4-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)but-2-enal
CID 19013076
(NE,R)-N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
CID 89253723
N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
CID 67979348
(2Z)-2-(6-bromo-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide
CID 19698778
7-bromo-3,4-dihydro-2H-isoquinolin-1-one
CID 25067330
6-bromo-2,3-dihydroinden-1-imine
CID 89235880

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)acetaldehyde?
The IUPAC name of (2Z)-2-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)acetaldehyde (CID 121003853) is (2Z)-2-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)acetaldehyde.
What is the SMILES notation for (2Z)-2-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)acetaldehyde?
The canonical SMILES for (2Z)-2-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)acetaldehyde is O=C/C=C1/CCCc2ccc(Br)cc21.
What is the InChIKey of (2Z)-2-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)acetaldehyde?
The InChIKey is NTZCBVSJIKVFPN-POHAHGRESA-N. The full InChI is InChI=1S/C12H11BrO/c13-11-5-4-9-2-1-3-10(6-7-14)12(9)8-11/h4-8H,1-3H2/b10-6-.
What are the key properties of (2Z)-2-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)acetaldehyde?
(2Z)-2-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)acetaldehyde has a molecular weight of 251.12 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)acetaldehyde is sourced from PubChem (CID 121003853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).