naphthalene;prop-2-enal

C13H12O — CID 174260828

IUPACnaphthalene;prop-2-enal
SMILESC=CC=O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C3H4O/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-3-4/h1-8H;2-3H,1H2
InChIKeyMFZHDIYAGYHXFS-UHFFFAOYSA-N
MW184.24 g/mol
LogP3.21
Rot. Bonds1

About naphthalene;prop-2-enal

naphthalene;prop-2-enal (PubChem CID 174260828) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is naphthalene;prop-2-enal.

Molecular Properties

Compound Namenaphthalene;prop-2-enal
PubChem CID174260828
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Namenaphthalene;prop-2-enal
SMILESC=CC=O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C3H4O/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-3-4/h1-8H;2-3H,1H2
InChIKeyMFZHDIYAGYHXFS-UHFFFAOYSA-N
XLogP3.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.21
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

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Frequently Asked Questions

What is the IUPAC name of naphthalene;prop-2-enal?
The IUPAC name of naphthalene;prop-2-enal (CID 174260828) is naphthalene;prop-2-enal.
What is the SMILES notation for naphthalene;prop-2-enal?
The canonical SMILES for naphthalene;prop-2-enal is C=CC=O.c1ccc2ccccc2c1.
What is the InChIKey of naphthalene;prop-2-enal?
The InChIKey is MFZHDIYAGYHXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C3H4O/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-3-4/h1-8H;2-3H,1H2.
What are the key properties of naphthalene;prop-2-enal?
naphthalene;prop-2-enal has a molecular weight of 184.24 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene;prop-2-enal is sourced from PubChem (CID 174260828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).