2-(cyclohex-3-en-1-ylmethyl)prop-2-enal

C10H14O — CID 23066946

IUPAC2-(cyclohex-3-en-1-ylmethyl)prop-2-enal
SMILESC=C(C=O)CC1CC=CCC1
InChIInChI=1S/C10H14O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-3,8,10H,1,4-7H2
InChIKeyXVFXNRRSCFEAGR-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.49
Rot. Bonds3

About 2-(cyclohex-3-en-1-ylmethyl)prop-2-enal

2-(cyclohex-3-en-1-ylmethyl)prop-2-enal (PubChem CID 23066946) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethyl)prop-2-enal.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethyl)prop-2-enal
PubChem CID23066946
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-(cyclohex-3-en-1-ylmethyl)prop-2-enal
SMILESC=C(C=O)CC1CC=CCC1
InChIInChI=1S/C10H14O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-3,8,10H,1,4-7H2
InChIKeyXVFXNRRSCFEAGR-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylmethyl)prop-2-enal?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethyl)prop-2-enal (CID 23066946) is 2-(cyclohex-3-en-1-ylmethyl)prop-2-enal.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethyl)prop-2-enal?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethyl)prop-2-enal is C=C(C=O)CC1CC=CCC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethyl)prop-2-enal?
The InChIKey is XVFXNRRSCFEAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-3,8,10H,1,4-7H2.
What are the key properties of 2-(cyclohex-3-en-1-ylmethyl)prop-2-enal?
2-(cyclohex-3-en-1-ylmethyl)prop-2-enal has a molecular weight of 150.22 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethyl)prop-2-enal is sourced from PubChem (CID 23066946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).