5-iminocyclopentene-1-carbaldehyde

C6H7NO — CID 90701896

IUPAC5-iminocyclopentene-1-carbaldehyde
SMILES[H]/N=C1\CCC=C1C=O
InChIInChI=1S/C6H7NO/c7-6-3-1-2-5(6)4-8/h2,4,7H,1,3H2/b7-6+
InChIKeyHLKPUWNGBIEJJH-VOTSOKGWSA-N
MW109.13 g/mol
LogP0.93
Rot. Bonds1

About 5-iminocyclopentene-1-carbaldehyde

5-iminocyclopentene-1-carbaldehyde (PubChem CID 90701896) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 5-iminocyclopentene-1-carbaldehyde.

Molecular Properties

Compound Name5-iminocyclopentene-1-carbaldehyde
PubChem CID90701896
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name5-iminocyclopentene-1-carbaldehyde
SMILES[H]/N=C1\CCC=C1C=O
InChIInChI=1S/C6H7NO/c7-6-3-1-2-5(6)4-8/h2,4,7H,1,3H2/b7-6+
InChIKeyHLKPUWNGBIEJJH-VOTSOKGWSA-N
XLogP0.93
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-Iminocyclohexa-1,3-diene-1-carbaldehyde
CID 22919033
5,6-Diiminocyclohexa-1,3-diene-1-carbaldehyde
CID 89745851
3-Iminocyclohexene-1-carbaldehyde
CID 123914990
5-Imino-6-methylidenecyclohexa-1,3-diene-1-carbaldehyde
CID 142986425
5-Iminocyclohexa-1,3-diene-1,3-dicarbaldehyde
CID 176074838
6-Iminocyclohexa-1,3-diene-1-carbaldehyde
CID 132487739
4-Imino-2-methylhept-2-enal
CID 163397470

Frequently Asked Questions

What is the IUPAC name of 5-iminocyclopentene-1-carbaldehyde?
The IUPAC name of 5-iminocyclopentene-1-carbaldehyde (CID 90701896) is 5-iminocyclopentene-1-carbaldehyde.
What is the SMILES notation for 5-iminocyclopentene-1-carbaldehyde?
The canonical SMILES for 5-iminocyclopentene-1-carbaldehyde is [H]/N=C1\CCC=C1C=O.
What is the InChIKey of 5-iminocyclopentene-1-carbaldehyde?
The InChIKey is HLKPUWNGBIEJJH-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H7NO/c7-6-3-1-2-5(6)4-8/h2,4,7H,1,3H2/b7-6+.
What are the key properties of 5-iminocyclopentene-1-carbaldehyde?
5-iminocyclopentene-1-carbaldehyde has a molecular weight of 109.13 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iminocyclopentene-1-carbaldehyde is sourced from PubChem (CID 90701896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).