2-[(2-ethenylcyclopent-2-en-1-yl)methyl]prop-2-enal

C11H14O — CID 10464632

IUPAC2-[(2-ethenylcyclopent-2-en-1-yl)methyl]prop-2-enal
SMILESC=CC1=CCCC1CC(=C)C=O
InChIInChI=1S/C11H14O/c1-3-10-5-4-6-11(10)7-9(2)8-12/h3,5,8,11H,1-2,4,6-7H2
InChIKeyAGWJDJUZJYANLR-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.65
Rot. Bonds4

About 2-[(2-ethenylcyclopent-2-en-1-yl)methyl]prop-2-enal

2-[(2-ethenylcyclopent-2-en-1-yl)methyl]prop-2-enal (PubChem CID 10464632) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-[(2-ethenylcyclopent-2-en-1-yl)methyl]prop-2-enal.

Molecular Properties

Compound Name2-[(2-ethenylcyclopent-2-en-1-yl)methyl]prop-2-enal
PubChem CID10464632
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name2-[(2-ethenylcyclopent-2-en-1-yl)methyl]prop-2-enal
SMILESC=CC1=CCCC1CC(=C)C=O
InChIInChI=1S/C11H14O/c1-3-10-5-4-6-11(10)7-9(2)8-12/h3,5,8,11H,1-2,4,6-7H2
InChIKeyAGWJDJUZJYANLR-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.65
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

1-ethenyl-5-(5-methylhex-4-enyl)cyclopentene
CID 11636969
2-(cyclohex-3-en-1-ylmethyl)prop-2-enal
CID 23066946
2-(2-methylcyclopent-2-en-1-yl)acetaldehyde
CID 59679584
2-hydroxy-6-prop-2-enylcyclohex-2-en-1-one
CID 86084588
(5R,6S)-1-ethenyl-6-(methoxymethoxy)-5-methylcyclohexene
CID 125476026
(5S)-5-methylcyclopentene-1-carbaldehyde
CID 101259456
(6R)-1-ethenyl-6-(methoxymethoxy)cyclohexene
CID 100956688
2-(2-ethenylcyclohex-2-en-1-yl)phenol
CID 135033026
2-(2-benzhydrylcyclopent-2-en-1-yl)acetic acid
CID 86102600
2-[(1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enal
CID 117266767
2-[(1-methylpiperidin-2-yl)methyl]prop-2-enal
CID 117266799
(5S)-1-nitro-5-prop-2-enylcyclohexene
CID 175808843

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethenylcyclopent-2-en-1-yl)methyl]prop-2-enal?
The IUPAC name of 2-[(2-ethenylcyclopent-2-en-1-yl)methyl]prop-2-enal (CID 10464632) is 2-[(2-ethenylcyclopent-2-en-1-yl)methyl]prop-2-enal.
What is the SMILES notation for 2-[(2-ethenylcyclopent-2-en-1-yl)methyl]prop-2-enal?
The canonical SMILES for 2-[(2-ethenylcyclopent-2-en-1-yl)methyl]prop-2-enal is C=CC1=CCCC1CC(=C)C=O.
What is the InChIKey of 2-[(2-ethenylcyclopent-2-en-1-yl)methyl]prop-2-enal?
The InChIKey is AGWJDJUZJYANLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-3-10-5-4-6-11(10)7-9(2)8-12/h3,5,8,11H,1-2,4,6-7H2.
What are the key properties of 2-[(2-ethenylcyclopent-2-en-1-yl)methyl]prop-2-enal?
2-[(2-ethenylcyclopent-2-en-1-yl)methyl]prop-2-enal has a molecular weight of 162.23 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethenylcyclopent-2-en-1-yl)methyl]prop-2-enal is sourced from PubChem (CID 10464632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).