2-[3-[(Z)-prop-1-enyl]naphthalen-2-yl]cyclobutane-1-carbaldehyde

C18H18O — CID 89075926

IUPAC2-[3-[(Z)-prop-1-enyl]naphthalen-2-yl]cyclobutane-1-carbaldehyde
SMILESC/C=C\c1cc2ccccc2cc1C1CCC1C=O
InChIInChI=1S/C18H18O/c1-2-5-15-10-13-6-3-4-7-14(13)11-18(15)17-9-8-16(17)12-19/h2-7,10-12,16-17H,8-9H2,1H3/b5-2-
InChIKeyZYHWVHQLRCCFOX-DJWKRKHSSA-N
MW250.34 g/mol
LogP4.57
Rot. Bonds3

About 2-[3-[(Z)-prop-1-enyl]naphthalen-2-yl]cyclobutane-1-carbaldehyde

2-[3-[(Z)-prop-1-enyl]naphthalen-2-yl]cyclobutane-1-carbaldehyde (PubChem CID 89075926) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[3-[(Z)-prop-1-enyl]naphthalen-2-yl]cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name2-[3-[(Z)-prop-1-enyl]naphthalen-2-yl]cyclobutane-1-carbaldehyde
PubChem CID89075926
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name2-[3-[(Z)-prop-1-enyl]naphthalen-2-yl]cyclobutane-1-carbaldehyde
SMILESC/C=C\c1cc2ccccc2cc1C1CCC1C=O
InChIInChI=1S/C18H18O/c1-2-5-15-10-13-6-3-4-7-14(13)11-18(15)17-9-8-16(17)12-19/h2-7,10-12,16-17H,8-9H2,1H3/b5-2-
InChIKeyZYHWVHQLRCCFOX-DJWKRKHSSA-N
XLogP4.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[3-[(Z)-prop-1-enyl]naphthalen-2-yl]cyclobutane-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(Z)-prop-1-enyl]naphthalen-2-yl]cyclobutane-1-carbaldehyde?
The IUPAC name of 2-[3-[(Z)-prop-1-enyl]naphthalen-2-yl]cyclobutane-1-carbaldehyde (CID 89075926) is 2-[3-[(Z)-prop-1-enyl]naphthalen-2-yl]cyclobutane-1-carbaldehyde.
What is the SMILES notation for 2-[3-[(Z)-prop-1-enyl]naphthalen-2-yl]cyclobutane-1-carbaldehyde?
The canonical SMILES for 2-[3-[(Z)-prop-1-enyl]naphthalen-2-yl]cyclobutane-1-carbaldehyde is C/C=C\c1cc2ccccc2cc1C1CCC1C=O.
What is the InChIKey of 2-[3-[(Z)-prop-1-enyl]naphthalen-2-yl]cyclobutane-1-carbaldehyde?
The InChIKey is ZYHWVHQLRCCFOX-DJWKRKHSSA-N. The full InChI is InChI=1S/C18H18O/c1-2-5-15-10-13-6-3-4-7-14(13)11-18(15)17-9-8-16(17)12-19/h2-7,10-12,16-17H,8-9H2,1H3/b5-2-.
What are the key properties of 2-[3-[(Z)-prop-1-enyl]naphthalen-2-yl]cyclobutane-1-carbaldehyde?
2-[3-[(Z)-prop-1-enyl]naphthalen-2-yl]cyclobutane-1-carbaldehyde has a molecular weight of 250.34 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(Z)-prop-1-enyl]naphthalen-2-yl]cyclobutane-1-carbaldehyde is sourced from PubChem (CID 89075926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).