2-[(E)-prop-1-enyl]cyclobutane-1,1-dicarbaldehyde

C9H12O2 — CID 46187735

IUPAC2-[(E)-prop-1-enyl]cyclobutane-1,1-dicarbaldehyde
SMILESC/C=C/C1CCC1(C=O)C=O
InChIInChI=1S/C9H12O2/c1-2-3-8-4-5-9(8,6-10)7-11/h2-3,6-8H,4-5H2,1H3/b3-2+
InChIKeyWCDMIQIXIJSNBG-NSCUHMNNSA-N
MW152.19 g/mol
LogP1.36
Rot. Bonds3

About 2-[(E)-prop-1-enyl]cyclobutane-1,1-dicarbaldehyde

2-[(E)-prop-1-enyl]cyclobutane-1,1-dicarbaldehyde (PubChem CID 46187735) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-[(E)-prop-1-enyl]cyclobutane-1,1-dicarbaldehyde.

Molecular Properties

Compound Name2-[(E)-prop-1-enyl]cyclobutane-1,1-dicarbaldehyde
PubChem CID46187735
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-[(E)-prop-1-enyl]cyclobutane-1,1-dicarbaldehyde
SMILESC/C=C/C1CCC1(C=O)C=O
InChIInChI=1S/C9H12O2/c1-2-3-8-4-5-9(8,6-10)7-11/h2-3,6-8H,4-5H2,1H3/b3-2+
InChIKeyWCDMIQIXIJSNBG-NSCUHMNNSA-N
XLogP1.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-butyl-1-methyl-2-prop-1-enylcyclobutane
CID 123374075
3-(2,2-dimethylcyclopropyl)prop-2-enal
CID 88727761
(2R,3S)-2-prop-1-enylspiro[2.4]heptan-7-one
CID 54046597
2,2,3,3-tetramethylcyclopentane-1-carbaldehyde
CID 89229755
(1S)-2-[(Z)-prop-1-enyl]cyclohexane-1-carbaldehyde
CID 173500000
3-ethenyl-1,2,2-trimethylcyclopentane-1-carbaldehyde
CID 130035342
4-[(E)-prop-1-enyl]cyclohexan-1-amine
CID 54523071
[(1R,2R)-1-methyl-2-[(E)-prop-1-enyl]cyclopropyl]methanol
CID 155930490
1-hydroxy-4-propan-2-ylcyclohexane-1-carbaldehyde
CID 130035277
2,2-dimethylcycloheptane-1-carbaldehyde
CID 138734461
trans-(1R,3R)-1,2,2-trimethyl-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclopentane-1-carbaldehyde
CID 101452751
bicyclo[2.2.0]hexane-1-carbaldehyde
CID 534324

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-prop-1-enyl]cyclobutane-1,1-dicarbaldehyde?
The IUPAC name of 2-[(E)-prop-1-enyl]cyclobutane-1,1-dicarbaldehyde (CID 46187735) is 2-[(E)-prop-1-enyl]cyclobutane-1,1-dicarbaldehyde.
What is the SMILES notation for 2-[(E)-prop-1-enyl]cyclobutane-1,1-dicarbaldehyde?
The canonical SMILES for 2-[(E)-prop-1-enyl]cyclobutane-1,1-dicarbaldehyde is C/C=C/C1CCC1(C=O)C=O.
What is the InChIKey of 2-[(E)-prop-1-enyl]cyclobutane-1,1-dicarbaldehyde?
The InChIKey is WCDMIQIXIJSNBG-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-3-8-4-5-9(8,6-10)7-11/h2-3,6-8H,4-5H2,1H3/b3-2+.
What are the key properties of 2-[(E)-prop-1-enyl]cyclobutane-1,1-dicarbaldehyde?
2-[(E)-prop-1-enyl]cyclobutane-1,1-dicarbaldehyde has a molecular weight of 152.19 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enyl]cyclobutane-1,1-dicarbaldehyde is sourced from PubChem (CID 46187735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).