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

C10H18N2O2 — CID 110202370

IUPAC(8aR,11aS)-2,3,5,6,7,8a,9,10,11,11a-decahydro-1H-cyclopenta[e][1,4,8]oxadiazecin-8-one
SMILESO=C1NCCOCCN[C@H]2CCC[C@@H]12
InChIInChI=1S/C10H18N2O2/c13-10-8-2-1-3-9(8)11-4-6-14-7-5-12-10/h8-9,11H,1-7H2,(H,12,13)/t8-,9+/m1/s1
InChIKeyPMEKDDCRVHDVOQ-BDAKNGLRSA-N
MW198.27 g/mol
LogP-0.11
Rot. Bonds

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

(8aR,11aS)-2,3,5,6,7,8a,9,10,11,11a-decahydro-1H-cyclopenta[e][1,4,8]oxadiazecin-8-one (PubChem CID 110202370) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (8aR,11aS)-2,3,5,6,7,8a,9,10,11,11a-decahydro-1H-cyclopenta[e][1,4,8]oxadiazecin-8-one.

Molecular Properties

Compound Name(8aR,11aS)-2,3,5,6,7,8a,9,10,11,11a-decahydro-1H-cyclopenta[e][1,4,8]oxadiazecin-8-one
PubChem CID110202370
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(8aR,11aS)-2,3,5,6,7,8a,9,10,11,11a-decahydro-1H-cyclopenta[e][1,4,8]oxadiazecin-8-one
SMILESO=C1NCCOCCN[C@H]2CCC[C@@H]12
InChIInChI=1S/C10H18N2O2/c13-10-8-2-1-3-9(8)11-4-6-14-7-5-12-10/h8-9,11H,1-7H2,(H,12,13)/t8-,9+/m1/s1
InChIKeyPMEKDDCRVHDVOQ-BDAKNGLRSA-N
XLogP-0.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8aR,11aS)-2,3,5,6,7,8a,9,10,11,11a-decahydro-1H-cyclopenta[e][1,4,8]oxadiazecin-8-one?
The IUPAC name of (8aR,11aS)-2,3,5,6,7,8a,9,10,11,11a-decahydro-1H-cyclopenta[e][1,4,8]oxadiazecin-8-one (CID 110202370) is (8aR,11aS)-2,3,5,6,7,8a,9,10,11,11a-decahydro-1H-cyclopenta[e][1,4,8]oxadiazecin-8-one.
What is the SMILES notation for (8aR,11aS)-2,3,5,6,7,8a,9,10,11,11a-decahydro-1H-cyclopenta[e][1,4,8]oxadiazecin-8-one?
The canonical SMILES for (8aR,11aS)-2,3,5,6,7,8a,9,10,11,11a-decahydro-1H-cyclopenta[e][1,4,8]oxadiazecin-8-one is O=C1NCCOCCN[C@H]2CCC[C@@H]12.
What is the InChIKey of (8aR,11aS)-2,3,5,6,7,8a,9,10,11,11a-decahydro-1H-cyclopenta[e][1,4,8]oxadiazecin-8-one?
The InChIKey is PMEKDDCRVHDVOQ-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-10-8-2-1-3-9(8)11-4-6-14-7-5-12-10/h8-9,11H,1-7H2,(H,12,13)/t8-,9+/m1/s1.
What are the key properties of (8aR,11aS)-2,3,5,6,7,8a,9,10,11,11a-decahydro-1H-cyclopenta[e][1,4,8]oxadiazecin-8-one?
(8aR,11aS)-2,3,5,6,7,8a,9,10,11,11a-decahydro-1H-cyclopenta[e][1,4,8]oxadiazecin-8-one has a molecular weight of 198.27 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR,11aS)-2,3,5,6,7,8a,9,10,11,11a-decahydro-1H-cyclopenta[e][1,4,8]oxadiazecin-8-one is sourced from PubChem (CID 110202370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).