11-tert-butyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

C15H26N2O — CID 76659535

IUPAC11-tert-butyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCC(C)(C)N1CC2CC(C1)C1CCCC(=O)N1C2
InChIInChI=1S/C15H26N2O/c1-15(2,3)16-8-11-7-12(10-16)13-5-4-6-14(18)17(13)9-11/h11-13H,4-10H2,1-3H3
InChIKeyKCVQRVIRYRJVQO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.12
Rot. Bonds

About 11-tert-butyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

11-tert-butyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 76659535) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 11-tert-butyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

Compound Name11-tert-butyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
PubChem CID76659535
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name11-tert-butyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCC(C)(C)N1CC2CC(C1)C1CCCC(=O)N1C2
InChIInChI=1S/C15H26N2O/c1-15(2,3)16-8-11-7-12(10-16)13-5-4-6-14(18)17(13)9-11/h11-13H,4-10H2,1-3H3
InChIKeyKCVQRVIRYRJVQO-UHFFFAOYSA-N
XLogP2.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-tert-butyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The IUPAC name of 11-tert-butyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 76659535) is 11-tert-butyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.
What is the SMILES notation for 11-tert-butyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The canonical SMILES for 11-tert-butyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is CC(C)(C)N1CC2CC(C1)C1CCCC(=O)N1C2.
What is the InChIKey of 11-tert-butyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The InChIKey is KCVQRVIRYRJVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,3)16-8-11-7-12(10-16)13-5-4-6-14(18)17(13)9-11/h11-13H,4-10H2,1-3H3.
What are the key properties of 11-tert-butyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
11-tert-butyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 250.39 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-tert-butyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 76659535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).