2-(cyclobutylmethyl)-3-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-ene-9-carbaldehyde

C15H23N3O2 — CID 170592287

IUPAC2-(cyclobutylmethyl)-3-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-ene-9-carbaldehyde
SMILESCCN1C(=O)C2(CCCN(C=O)C2)N=C1CC1CCC1
InChIInChI=1S/C15H23N3O2/c1-2-18-13(9-12-5-3-6-12)16-15(14(18)20)7-4-8-17(10-15)11-19/h11-12H,2-10H2,1H3
InChIKeyRODVJLANYGPDNF-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.43
Rot. Bonds4

About 2-(cyclobutylmethyl)-3-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-ene-9-carbaldehyde

2-(cyclobutylmethyl)-3-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-ene-9-carbaldehyde (PubChem CID 170592287) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-3-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-ene-9-carbaldehyde.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-3-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-ene-9-carbaldehyde
PubChem CID170592287
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(cyclobutylmethyl)-3-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-ene-9-carbaldehyde
SMILESCCN1C(=O)C2(CCCN(C=O)C2)N=C1CC1CCC1
InChIInChI=1S/C15H23N3O2/c1-2-18-13(9-12-5-3-6-12)16-15(14(18)20)7-4-8-17(10-15)11-19/h11-12H,2-10H2,1H3
InChIKeyRODVJLANYGPDNF-UHFFFAOYSA-N
XLogP1.43
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-3-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-ene-9-carbaldehyde?
The IUPAC name of 2-(cyclobutylmethyl)-3-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-ene-9-carbaldehyde (CID 170592287) is 2-(cyclobutylmethyl)-3-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-ene-9-carbaldehyde.
What is the SMILES notation for 2-(cyclobutylmethyl)-3-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-ene-9-carbaldehyde?
The canonical SMILES for 2-(cyclobutylmethyl)-3-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-ene-9-carbaldehyde is CCN1C(=O)C2(CCCN(C=O)C2)N=C1CC1CCC1.
What is the InChIKey of 2-(cyclobutylmethyl)-3-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-ene-9-carbaldehyde?
The InChIKey is RODVJLANYGPDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-18-13(9-12-5-3-6-12)16-15(14(18)20)7-4-8-17(10-15)11-19/h11-12H,2-10H2,1H3.
What are the key properties of 2-(cyclobutylmethyl)-3-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-ene-9-carbaldehyde?
2-(cyclobutylmethyl)-3-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-ene-9-carbaldehyde has a molecular weight of 277.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-3-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-ene-9-carbaldehyde is sourced from PubChem (CID 170592287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).