cyclohex-2-en-1-one;propanal

C9H14O2 — CID 19894625

IUPACcyclohex-2-en-1-one;propanal
SMILESCCC=O.O=C1C=CCCC1
InChIInChI=1S/C6H8O.C3H6O/c7-6-4-2-1-3-5-6;1-2-3-4/h2,4H,1,3,5H2;3H,2H2,1H3
InChIKeyHRWBNUNSIJSGJY-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.89
Rot. Bonds1

About cyclohex-2-en-1-one;propanal

cyclohex-2-en-1-one;propanal (PubChem CID 19894625) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is cyclohex-2-en-1-one;propanal.

Molecular Properties

Compound Namecyclohex-2-en-1-one;propanal
PubChem CID19894625
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namecyclohex-2-en-1-one;propanal
SMILESCCC=O.O=C1C=CCCC1
InChIInChI=1S/C6H8O.C3H6O/c7-6-4-2-1-3-5-6;1-2-3-4/h2,4H,1,3,5H2;3H,2H2,1H3
InChIKeyHRWBNUNSIJSGJY-UHFFFAOYSA-N
XLogP1.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-one;propanal?
The IUPAC name of cyclohex-2-en-1-one;propanal (CID 19894625) is cyclohex-2-en-1-one;propanal.
What is the SMILES notation for cyclohex-2-en-1-one;propanal?
The canonical SMILES for cyclohex-2-en-1-one;propanal is CCC=O.O=C1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-one;propanal?
The InChIKey is HRWBNUNSIJSGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O.C3H6O/c7-6-4-2-1-3-5-6;1-2-3-4/h2,4H,1,3,5H2;3H,2H2,1H3.
What are the key properties of cyclohex-2-en-1-one;propanal?
cyclohex-2-en-1-one;propanal has a molecular weight of 154.21 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-one;propanal is sourced from PubChem (CID 19894625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).