(5S)-9-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one

C16H21N3O2 — CID 97137251

IUPAC(5S)-9-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESO=C1CC[C@]2(CCOC2)CN1Cc1ncc2c(n1)CCC2
InChIInChI=1S/C16H21N3O2/c20-15-4-5-16(6-7-21-11-16)10-19(15)9-14-17-8-12-2-1-3-13(12)18-14/h8H,1-7,9-11H2/t16-/m0/s1
InChIKeyKENUZROOVKAEML-INIZCTEOSA-N
MW287.36 g/mol
LogP1.49
Rot. Bonds2

About (5S)-9-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one

(5S)-9-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 97137251) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (5S)-9-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5S)-9-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID97137251
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(5S)-9-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESO=C1CC[C@]2(CCOC2)CN1Cc1ncc2c(n1)CCC2
InChIInChI=1S/C16H21N3O2/c20-15-4-5-16(6-7-21-11-16)10-19(15)9-14-17-8-12-2-1-3-13(12)18-14/h8H,1-7,9-11H2/t16-/m0/s1
InChIKeyKENUZROOVKAEML-INIZCTEOSA-N
XLogP1.49
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-9-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of (5S)-9-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one (CID 97137251) is (5S)-9-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for (5S)-9-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for (5S)-9-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one is O=C1CC[C@]2(CCOC2)CN1Cc1ncc2c(n1)CCC2.
What is the InChIKey of (5S)-9-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is KENUZROOVKAEML-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15-4-5-16(6-7-21-11-16)10-19(15)9-14-17-8-12-2-1-3-13(12)18-14/h8H,1-7,9-11H2/t16-/m0/s1.
What are the key properties of (5S)-9-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one?
(5S)-9-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 287.36 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 97137251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).