(1S,11R)-2-acetyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one

C14H24N2O2 — CID 110199285

IUPAC(1S,11R)-2-acetyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCC(=O)N1CCCCCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C14H24N2O2/c1-11(17)16-10-5-3-2-4-9-15-14(18)12-7-6-8-13(12)16/h12-13H,2-10H2,1H3,(H,15,18)/t12-,13+/m1/s1
InChIKeyJVEHEFPFPUSMMJ-OLZOCXBDSA-N
MW252.36 g/mol
LogP1.69
Rot. Bonds

About (1S,11R)-2-acetyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one

(1S,11R)-2-acetyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one (PubChem CID 110199285) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (1S,11R)-2-acetyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one.

Molecular Properties

Compound Name(1S,11R)-2-acetyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
PubChem CID110199285
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(1S,11R)-2-acetyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCC(=O)N1CCCCCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C14H24N2O2/c1-11(17)16-10-5-3-2-4-9-15-14(18)12-7-6-8-13(12)16/h12-13H,2-10H2,1H3,(H,15,18)/t12-,13+/m1/s1
InChIKeyJVEHEFPFPUSMMJ-OLZOCXBDSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,11R)-2-acetyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The IUPAC name of (1S,11R)-2-acetyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one (CID 110199285) is (1S,11R)-2-acetyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one.
What is the SMILES notation for (1S,11R)-2-acetyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The canonical SMILES for (1S,11R)-2-acetyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one is CC(=O)N1CCCCCCNC(=O)[C@@H]2CCC[C@@H]21.
What is the InChIKey of (1S,11R)-2-acetyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The InChIKey is JVEHEFPFPUSMMJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(17)16-10-5-3-2-4-9-15-14(18)12-7-6-8-13(12)16/h12-13H,2-10H2,1H3,(H,15,18)/t12-,13+/m1/s1.
What are the key properties of (1S,11R)-2-acetyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
(1S,11R)-2-acetyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one has a molecular weight of 252.36 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-2-acetyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one is sourced from PubChem (CID 110199285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).