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

C15H26N2O2 — CID 110199282

IUPAC(1S,11R)-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCCC(=O)N1CCCCCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C15H26N2O2/c1-2-14(18)17-11-6-4-3-5-10-16-15(19)12-8-7-9-13(12)17/h12-13H,2-11H2,1H3,(H,16,19)/t12-,13+/m1/s1
InChIKeyQWVNWISFQXHLHF-OLZOCXBDSA-N
MW266.38 g/mol
LogP2.08
Rot. Bonds1

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

(1S,11R)-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one (PubChem CID 110199282) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (1S,11R)-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one.

Molecular Properties

Compound Name(1S,11R)-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
PubChem CID110199282
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(1S,11R)-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCCC(=O)N1CCCCCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C15H26N2O2/c1-2-14(18)17-11-6-4-3-5-10-16-15(19)12-8-7-9-13(12)17/h12-13H,2-11H2,1H3,(H,16,19)/t12-,13+/m1/s1
InChIKeyQWVNWISFQXHLHF-OLZOCXBDSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,11R)-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The IUPAC name of (1S,11R)-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one (CID 110199282) is (1S,11R)-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one.
What is the SMILES notation for (1S,11R)-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The canonical SMILES for (1S,11R)-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one is CCC(=O)N1CCCCCCNC(=O)[C@@H]2CCC[C@@H]21.
What is the InChIKey of (1S,11R)-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The InChIKey is QWVNWISFQXHLHF-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-14(18)17-11-6-4-3-5-10-16-15(19)12-8-7-9-13(12)17/h12-13H,2-11H2,1H3,(H,16,19)/t12-,13+/m1/s1.
What are the key properties of (1S,11R)-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
(1S,11R)-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one has a molecular weight of 266.38 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one is sourced from PubChem (CID 110199282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).