2-[2,2,3-tris(methylamino)cyclopent-3-en-1-yl]acetaldehyde

C10H19N3O — CID 174425374

IUPAC2-[2,2,3-tris(methylamino)cyclopent-3-en-1-yl]acetaldehyde
SMILESCNC1=CCC(CC=O)C1(NC)NC
InChIInChI=1S/C10H19N3O/c1-11-9-5-4-8(6-7-14)10(9,12-2)13-3/h5,7-8,11-13H,4,6H2,1-3H3
InChIKeyVPVFORMYRRIGCK-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.17
Rot. Bonds5

About 2-[2,2,3-tris(methylamino)cyclopent-3-en-1-yl]acetaldehyde

2-[2,2,3-tris(methylamino)cyclopent-3-en-1-yl]acetaldehyde (PubChem CID 174425374) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[2,2,3-tris(methylamino)cyclopent-3-en-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2,2,3-tris(methylamino)cyclopent-3-en-1-yl]acetaldehyde
PubChem CID174425374
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-[2,2,3-tris(methylamino)cyclopent-3-en-1-yl]acetaldehyde
SMILESCNC1=CCC(CC=O)C1(NC)NC
InChIInChI=1S/C10H19N3O/c1-11-9-5-4-8(6-7-14)10(9,12-2)13-3/h5,7-8,11-13H,4,6H2,1-3H3
InChIKeyVPVFORMYRRIGCK-UHFFFAOYSA-N
XLogP-0.17
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2,3-tris(methylamino)cyclopent-3-en-1-yl]acetaldehyde?
The IUPAC name of 2-[2,2,3-tris(methylamino)cyclopent-3-en-1-yl]acetaldehyde (CID 174425374) is 2-[2,2,3-tris(methylamino)cyclopent-3-en-1-yl]acetaldehyde.
What is the SMILES notation for 2-[2,2,3-tris(methylamino)cyclopent-3-en-1-yl]acetaldehyde?
The canonical SMILES for 2-[2,2,3-tris(methylamino)cyclopent-3-en-1-yl]acetaldehyde is CNC1=CCC(CC=O)C1(NC)NC.
What is the InChIKey of 2-[2,2,3-tris(methylamino)cyclopent-3-en-1-yl]acetaldehyde?
The InChIKey is VPVFORMYRRIGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-11-9-5-4-8(6-7-14)10(9,12-2)13-3/h5,7-8,11-13H,4,6H2,1-3H3.
What are the key properties of 2-[2,2,3-tris(methylamino)cyclopent-3-en-1-yl]acetaldehyde?
2-[2,2,3-tris(methylamino)cyclopent-3-en-1-yl]acetaldehyde has a molecular weight of 197.28 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2,3-tris(methylamino)cyclopent-3-en-1-yl]acetaldehyde is sourced from PubChem (CID 174425374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).