6-chloro-15-methyl-15-azatetracyclo[10.2.1.02,10.03,8]pentadeca-3(8),4,6-trien-9-one

C15H16ClNO — CID 19377743

IUPAC6-chloro-15-methyl-15-azatetracyclo[10.2.1.02,10.03,8]pentadeca-3(8),4,6-trien-9-one
SMILESCN1C2CCC1C1c3ccc(Cl)cc3C(=O)C1C2
InChIInChI=1S/C15H16ClNO/c1-17-9-3-5-13(17)14-10-4-2-8(16)6-11(10)15(18)12(14)7-9/h2,4,6,9,12-14H,3,5,7H2,1H3
InChIKeyMDFCVHQZTYZITR-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.10
Rot. Bonds

About 6-chloro-15-methyl-15-azatetracyclo[10.2.1.02,10.03,8]pentadeca-3(8),4,6-trien-9-one

6-chloro-15-methyl-15-azatetracyclo[10.2.1.02,10.03,8]pentadeca-3(8),4,6-trien-9-one (PubChem CID 19377743) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 6-chloro-15-methyl-15-azatetracyclo[10.2.1.02,10.03,8]pentadeca-3(8),4,6-trien-9-one.

Molecular Properties

Compound Name6-chloro-15-methyl-15-azatetracyclo[10.2.1.02,10.03,8]pentadeca-3(8),4,6-trien-9-one
PubChem CID19377743
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name6-chloro-15-methyl-15-azatetracyclo[10.2.1.02,10.03,8]pentadeca-3(8),4,6-trien-9-one
SMILESCN1C2CCC1C1c3ccc(Cl)cc3C(=O)C1C2
InChIInChI=1S/C15H16ClNO/c1-17-9-3-5-13(17)14-10-4-2-8(16)6-11(10)15(18)12(14)7-9/h2,4,6,9,12-14H,3,5,7H2,1H3
InChIKeyMDFCVHQZTYZITR-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-15-methyl-15-azatetracyclo[10.2.1.02,10.03,8]pentadeca-3(8),4,6-trien-9-one?
The IUPAC name of 6-chloro-15-methyl-15-azatetracyclo[10.2.1.02,10.03,8]pentadeca-3(8),4,6-trien-9-one (CID 19377743) is 6-chloro-15-methyl-15-azatetracyclo[10.2.1.02,10.03,8]pentadeca-3(8),4,6-trien-9-one.
What is the SMILES notation for 6-chloro-15-methyl-15-azatetracyclo[10.2.1.02,10.03,8]pentadeca-3(8),4,6-trien-9-one?
The canonical SMILES for 6-chloro-15-methyl-15-azatetracyclo[10.2.1.02,10.03,8]pentadeca-3(8),4,6-trien-9-one is CN1C2CCC1C1c3ccc(Cl)cc3C(=O)C1C2.
What is the InChIKey of 6-chloro-15-methyl-15-azatetracyclo[10.2.1.02,10.03,8]pentadeca-3(8),4,6-trien-9-one?
The InChIKey is MDFCVHQZTYZITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-17-9-3-5-13(17)14-10-4-2-8(16)6-11(10)15(18)12(14)7-9/h2,4,6,9,12-14H,3,5,7H2,1H3.
What are the key properties of 6-chloro-15-methyl-15-azatetracyclo[10.2.1.02,10.03,8]pentadeca-3(8),4,6-trien-9-one?
6-chloro-15-methyl-15-azatetracyclo[10.2.1.02,10.03,8]pentadeca-3(8),4,6-trien-9-one has a molecular weight of 261.75 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-15-methyl-15-azatetracyclo[10.2.1.02,10.03,8]pentadeca-3(8),4,6-trien-9-one is sourced from PubChem (CID 19377743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).