(8aR,11aS)-1-propanoyl-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one

C14H24N2O2 — CID 110201562

IUPAC(8aR,11aS)-1-propanoyl-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
SMILESCCC(=O)N1CCCCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C14H24N2O2/c1-2-13(17)16-10-5-3-4-9-15-14(18)11-7-6-8-12(11)16/h11-12H,2-10H2,1H3,(H,15,18)/t11-,12+/m1/s1
InChIKeyIJOCKTXCOLGFHH-NEPJUHHUSA-N
MW252.36 g/mol
LogP1.69
Rot. Bonds1

About (8aR,11aS)-1-propanoyl-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one

(8aR,11aS)-1-propanoyl-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one (PubChem CID 110201562) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (8aR,11aS)-1-propanoyl-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one.

Molecular Properties

Compound Name(8aR,11aS)-1-propanoyl-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
PubChem CID110201562
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(8aR,11aS)-1-propanoyl-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
SMILESCCC(=O)N1CCCCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C14H24N2O2/c1-2-13(17)16-10-5-3-4-9-15-14(18)11-7-6-8-12(11)16/h11-12H,2-10H2,1H3,(H,15,18)/t11-,12+/m1/s1
InChIKeyIJOCKTXCOLGFHH-NEPJUHHUSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

Analyze (8aR,11aS)-1-propanoyl-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8aR,11aS)-1-propanoyl-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one?
The IUPAC name of (8aR,11aS)-1-propanoyl-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one (CID 110201562) is (8aR,11aS)-1-propanoyl-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one.
What is the SMILES notation for (8aR,11aS)-1-propanoyl-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one?
The canonical SMILES for (8aR,11aS)-1-propanoyl-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one is CCC(=O)N1CCCCCNC(=O)[C@@H]2CCC[C@@H]21.
What is the InChIKey of (8aR,11aS)-1-propanoyl-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one?
The InChIKey is IJOCKTXCOLGFHH-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-13(17)16-10-5-3-4-9-15-14(18)11-7-6-8-12(11)16/h11-12H,2-10H2,1H3,(H,15,18)/t11-,12+/m1/s1.
What are the key properties of (8aR,11aS)-1-propanoyl-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one?
(8aR,11aS)-1-propanoyl-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one has a molecular weight of 252.36 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR,11aS)-1-propanoyl-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one is sourced from PubChem (CID 110201562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).