3-(2-methylnaphthalen-1-yl)prop-2-enal

C14H12O — CID 169459674

IUPAC3-(2-methylnaphthalen-1-yl)prop-2-enal
SMILESCc1ccc2ccccc2c1C=CC=O
InChIInChI=1S/C14H12O/c1-11-8-9-12-5-2-3-6-14(12)13(11)7-4-10-15/h2-10H,1H3
InChIKeyFSOBWNMLWUVWHM-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.36
Rot. Bonds2

About 3-(2-methylnaphthalen-1-yl)prop-2-enal

3-(2-methylnaphthalen-1-yl)prop-2-enal (PubChem CID 169459674) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(2-methylnaphthalen-1-yl)prop-2-enal.

Molecular Properties

Compound Name3-(2-methylnaphthalen-1-yl)prop-2-enal
PubChem CID169459674
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name3-(2-methylnaphthalen-1-yl)prop-2-enal
SMILESCc1ccc2ccccc2c1C=CC=O
InChIInChI=1S/C14H12O/c1-11-8-9-12-5-2-3-6-14(12)13(11)7-4-10-15/h2-10H,1H3
InChIKeyFSOBWNMLWUVWHM-UHFFFAOYSA-N
XLogP3.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.36
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylnaphthalen-1-yl)prop-2-enal?
The IUPAC name of 3-(2-methylnaphthalen-1-yl)prop-2-enal (CID 169459674) is 3-(2-methylnaphthalen-1-yl)prop-2-enal.
What is the SMILES notation for 3-(2-methylnaphthalen-1-yl)prop-2-enal?
The canonical SMILES for 3-(2-methylnaphthalen-1-yl)prop-2-enal is Cc1ccc2ccccc2c1C=CC=O.
What is the InChIKey of 3-(2-methylnaphthalen-1-yl)prop-2-enal?
The InChIKey is FSOBWNMLWUVWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c1-11-8-9-12-5-2-3-6-14(12)13(11)7-4-10-15/h2-10H,1H3.
What are the key properties of 3-(2-methylnaphthalen-1-yl)prop-2-enal?
3-(2-methylnaphthalen-1-yl)prop-2-enal has a molecular weight of 196.25 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylnaphthalen-1-yl)prop-2-enal is sourced from PubChem (CID 169459674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).