4-propan-2-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[e][1,3]oxazin-2-one

C10H17NO2 — CID 14271710

IUPAC4-propan-2-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[e][1,3]oxazin-2-one
SMILESCC(C)C1NC(=O)OC2CCCC21
InChIInChI=1S/C10H17NO2/c1-6(2)9-7-4-3-5-8(7)13-10(12)11-9/h6-9H,3-5H2,1-2H3,(H,11,12)
InChIKeyDVIPCEJNXQTQLH-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.92
Rot. Bonds1

About 4-propan-2-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[e][1,3]oxazin-2-one

4-propan-2-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[e][1,3]oxazin-2-one (PubChem CID 14271710) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-propan-2-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[e][1,3]oxazin-2-one.

Molecular Properties

Compound Name4-propan-2-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[e][1,3]oxazin-2-one
PubChem CID14271710
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-propan-2-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[e][1,3]oxazin-2-one
SMILESCC(C)C1NC(=O)OC2CCCC21
InChIInChI=1S/C10H17NO2/c1-6(2)9-7-4-3-5-8(7)13-10(12)11-9/h6-9H,3-5H2,1-2H3,(H,11,12)
InChIKeyDVIPCEJNXQTQLH-UHFFFAOYSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[e][1,3]oxazin-2-one?
The IUPAC name of 4-propan-2-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[e][1,3]oxazin-2-one (CID 14271710) is 4-propan-2-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[e][1,3]oxazin-2-one.
What is the SMILES notation for 4-propan-2-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[e][1,3]oxazin-2-one?
The canonical SMILES for 4-propan-2-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[e][1,3]oxazin-2-one is CC(C)C1NC(=O)OC2CCCC21.
What is the InChIKey of 4-propan-2-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[e][1,3]oxazin-2-one?
The InChIKey is DVIPCEJNXQTQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6(2)9-7-4-3-5-8(7)13-10(12)11-9/h6-9H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 4-propan-2-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[e][1,3]oxazin-2-one?
4-propan-2-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[e][1,3]oxazin-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[e][1,3]oxazin-2-one is sourced from PubChem (CID 14271710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).