(8aR,11aS)-N-ethyl-8-oxo-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecine-1-carboxamide

C14H25N3O2 — CID 110201607

IUPAC(8aR,11aS)-N-ethyl-8-oxo-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecine-1-carboxamide
SMILESCCNC(=O)N1CCCCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C14H25N3O2/c1-2-15-14(19)17-10-5-3-4-9-16-13(18)11-7-6-8-12(11)17/h11-12H,2-10H2,1H3,(H,15,19)(H,16,18)/t11-,12+/m1/s1
InChIKeyJMQIGEAVSIVFAD-NEPJUHHUSA-N
MW267.37 g/mol
LogP1.49
Rot. Bonds1

About (8aR,11aS)-N-ethyl-8-oxo-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecine-1-carboxamide

(8aR,11aS)-N-ethyl-8-oxo-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecine-1-carboxamide (PubChem CID 110201607) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (8aR,11aS)-N-ethyl-8-oxo-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecine-1-carboxamide.

Molecular Properties

Compound Name(8aR,11aS)-N-ethyl-8-oxo-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecine-1-carboxamide
PubChem CID110201607
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(8aR,11aS)-N-ethyl-8-oxo-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecine-1-carboxamide
SMILESCCNC(=O)N1CCCCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C14H25N3O2/c1-2-15-14(19)17-10-5-3-4-9-16-13(18)11-7-6-8-12(11)17/h11-12H,2-10H2,1H3,(H,15,19)(H,16,18)/t11-,12+/m1/s1
InChIKeyJMQIGEAVSIVFAD-NEPJUHHUSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (8aR,11aS)-N-ethyl-8-oxo-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8aR,11aS)-N-ethyl-8-oxo-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecine-1-carboxamide?
The IUPAC name of (8aR,11aS)-N-ethyl-8-oxo-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecine-1-carboxamide (CID 110201607) is (8aR,11aS)-N-ethyl-8-oxo-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecine-1-carboxamide.
What is the SMILES notation for (8aR,11aS)-N-ethyl-8-oxo-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecine-1-carboxamide?
The canonical SMILES for (8aR,11aS)-N-ethyl-8-oxo-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecine-1-carboxamide is CCNC(=O)N1CCCCCNC(=O)[C@@H]2CCC[C@@H]21.
What is the InChIKey of (8aR,11aS)-N-ethyl-8-oxo-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecine-1-carboxamide?
The InChIKey is JMQIGEAVSIVFAD-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-15-14(19)17-10-5-3-4-9-16-13(18)11-7-6-8-12(11)17/h11-12H,2-10H2,1H3,(H,15,19)(H,16,18)/t11-,12+/m1/s1.
What are the key properties of (8aR,11aS)-N-ethyl-8-oxo-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecine-1-carboxamide?
(8aR,11aS)-N-ethyl-8-oxo-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecine-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR,11aS)-N-ethyl-8-oxo-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecine-1-carboxamide is sourced from PubChem (CID 110201607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).