11-chlorospiro[2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-diene-4,1'-cyclopropane]-9-one

C11H12ClN3O — CID 168931550

IUPAC11-chlorospiro[2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-diene-4,1'-cyclopropane]-9-one
SMILESO=c1nc(Cl)cc2n1CC1CC3(CC3)CN21
InChIInChI=1S/C11H12ClN3O/c12-8-3-9-14(10(16)13-8)5-7-4-11(1-2-11)6-15(7)9/h3,7H,1-2,4-6H2
InChIKeySEMNSGKNXNWOQX-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.27
Rot. Bonds

About 11-chlorospiro[2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-diene-4,1'-cyclopropane]-9-one

11-chlorospiro[2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-diene-4,1'-cyclopropane]-9-one (PubChem CID 168931550) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 11-chlorospiro[2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-diene-4,1'-cyclopropane]-9-one.

Molecular Properties

Compound Name11-chlorospiro[2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-diene-4,1'-cyclopropane]-9-one
PubChem CID168931550
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name11-chlorospiro[2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-diene-4,1'-cyclopropane]-9-one
SMILESO=c1nc(Cl)cc2n1CC1CC3(CC3)CN21
InChIInChI=1S/C11H12ClN3O/c12-8-3-9-14(10(16)13-8)5-7-4-11(1-2-11)6-15(7)9/h3,7H,1-2,4-6H2
InChIKeySEMNSGKNXNWOQX-UHFFFAOYSA-N
XLogP1.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-chlorospiro[2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-diene-4,1'-cyclopropane]-9-one?
The IUPAC name of 11-chlorospiro[2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-diene-4,1'-cyclopropane]-9-one (CID 168931550) is 11-chlorospiro[2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-diene-4,1'-cyclopropane]-9-one.
What is the SMILES notation for 11-chlorospiro[2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-diene-4,1'-cyclopropane]-9-one?
The canonical SMILES for 11-chlorospiro[2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-diene-4,1'-cyclopropane]-9-one is O=c1nc(Cl)cc2n1CC1CC3(CC3)CN21.
What is the InChIKey of 11-chlorospiro[2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-diene-4,1'-cyclopropane]-9-one?
The InChIKey is SEMNSGKNXNWOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-8-3-9-14(10(16)13-8)5-7-4-11(1-2-11)6-15(7)9/h3,7H,1-2,4-6H2.
What are the key properties of 11-chlorospiro[2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-diene-4,1'-cyclopropane]-9-one?
11-chlorospiro[2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-diene-4,1'-cyclopropane]-9-one has a molecular weight of 237.69 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chlorospiro[2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-diene-4,1'-cyclopropane]-9-one is sourced from PubChem (CID 168931550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).