8'-but-3-en-2-yl-2'-chloro-5'-ethenylspiro[cyclobutane-1,7'-pteridine]-6'-one

C15H17ClN4O — CID 161011840

IUPAC8'-but-3-en-2-yl-2'-chloro-5'-ethenylspiro[cyclobutane-1,7'-pteridine]-6'-one
SMILESC=CC(C)N1c2nc(Cl)ncc2N(C=C)C(=O)C12CCC2
InChIInChI=1S/C15H17ClN4O/c1-4-10(3)20-12-11(9-17-14(16)18-12)19(5-2)13(21)15(20)7-6-8-15/h4-5,9-10H,1-2,6-8H2,3H3
InChIKeyTXFKKAAJLZILEP-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.92
Rot. Bonds3

About 8'-but-3-en-2-yl-2'-chloro-5'-ethenylspiro[cyclobutane-1,7'-pteridine]-6'-one

8'-but-3-en-2-yl-2'-chloro-5'-ethenylspiro[cyclobutane-1,7'-pteridine]-6'-one (PubChem CID 161011840) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 8'-but-3-en-2-yl-2'-chloro-5'-ethenylspiro[cyclobutane-1,7'-pteridine]-6'-one.

Molecular Properties

Compound Name8'-but-3-en-2-yl-2'-chloro-5'-ethenylspiro[cyclobutane-1,7'-pteridine]-6'-one
PubChem CID161011840
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name8'-but-3-en-2-yl-2'-chloro-5'-ethenylspiro[cyclobutane-1,7'-pteridine]-6'-one
SMILESC=CC(C)N1c2nc(Cl)ncc2N(C=C)C(=O)C12CCC2
InChIInChI=1S/C15H17ClN4O/c1-4-10(3)20-12-11(9-17-14(16)18-12)19(5-2)13(21)15(20)7-6-8-15/h4-5,9-10H,1-2,6-8H2,3H3
InChIKeyTXFKKAAJLZILEP-UHFFFAOYSA-N
XLogP2.92
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8'-but-3-en-2-yl-2'-chloro-5'-ethenylspiro[cyclobutane-1,7'-pteridine]-6'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6a-ethyl-5-methyl-8,9,10,11-tetrahydro-7H-azepino[2,1-h]pteridin-6-one;methane
CID 158651053
2'-chloro-1-hydroxy-1,5'-dimethylspiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one
CID 167362927
6-(2-chloro-5-fluoropyrimidin-4-yl)-6-azaspiro[3.4]octan-8-one
CID 172608383
3-ethenyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 130120413
2-chloro-5-propan-2-yl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one
CID 86651570
(6aS)-2-chloro-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
CID 91827947
2-chloro-6a-methyl-5,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
CID 123520942
5-(2-chloro-5-fluoropyrimidin-4-yl)-5-azaspiro[2.4]heptan-4-one
CID 172581443
2-chloro-6a-ethyl-5-methyl-7,8,9,10-tetrahydro-6H-pyrido[2,1-h]pteridine
CID 141302803
2-chloro-9-cyclopentyl-7-ethyl-7-fluoro-5-methyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 58214903
2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde
CID 174623114
2-chloro-5-methylspiro[7H-purino[9,8-a]imidazole-8,4'-thiane] 1',1'-dioxide
CID 167163650

Frequently Asked Questions

What is the IUPAC name of 8'-but-3-en-2-yl-2'-chloro-5'-ethenylspiro[cyclobutane-1,7'-pteridine]-6'-one?
The IUPAC name of 8'-but-3-en-2-yl-2'-chloro-5'-ethenylspiro[cyclobutane-1,7'-pteridine]-6'-one (CID 161011840) is 8'-but-3-en-2-yl-2'-chloro-5'-ethenylspiro[cyclobutane-1,7'-pteridine]-6'-one.
What is the SMILES notation for 8'-but-3-en-2-yl-2'-chloro-5'-ethenylspiro[cyclobutane-1,7'-pteridine]-6'-one?
The canonical SMILES for 8'-but-3-en-2-yl-2'-chloro-5'-ethenylspiro[cyclobutane-1,7'-pteridine]-6'-one is C=CC(C)N1c2nc(Cl)ncc2N(C=C)C(=O)C12CCC2.
What is the InChIKey of 8'-but-3-en-2-yl-2'-chloro-5'-ethenylspiro[cyclobutane-1,7'-pteridine]-6'-one?
The InChIKey is TXFKKAAJLZILEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-4-10(3)20-12-11(9-17-14(16)18-12)19(5-2)13(21)15(20)7-6-8-15/h4-5,9-10H,1-2,6-8H2,3H3.
What are the key properties of 8'-but-3-en-2-yl-2'-chloro-5'-ethenylspiro[cyclobutane-1,7'-pteridine]-6'-one?
8'-but-3-en-2-yl-2'-chloro-5'-ethenylspiro[cyclobutane-1,7'-pteridine]-6'-one has a molecular weight of 304.78 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-but-3-en-2-yl-2'-chloro-5'-ethenylspiro[cyclobutane-1,7'-pteridine]-6'-one is sourced from PubChem (CID 161011840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).