methane;2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C17H31NO2 — CID 159273031

IUPACmethane;2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESC.CC(C)C1CC(C(C)C)C2C(=O)N(C(C)C)C(=O)C12
InChIInChI=1S/C16H27NO2.CH4/c1-8(2)11-7-12(9(3)4)14-13(11)15(18)17(10(5)6)16(14)19;/h8-14H,7H2,1-6H3;1H4
InChIKeyKXYJKCCQKKIFAB-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.58
Rot. Bonds3

About methane;2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

methane;2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 159273031) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is methane;2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Namemethane;2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID159273031
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Namemethane;2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESC.CC(C)C1CC(C(C)C)C2C(=O)N(C(C)C)C(=O)C12
InChIInChI=1S/C16H27NO2.CH4/c1-8(2)11-7-12(9(3)4)14-13(11)15(18)17(10(5)6)16(14)19;/h8-14H,7H2,1-6H3;1H4
InChIKeyKXYJKCCQKKIFAB-UHFFFAOYSA-N
XLogP3.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of methane;2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 159273031) is methane;2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for methane;2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for methane;2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is C.CC(C)C1CC(C(C)C)C2C(=O)N(C(C)C)C(=O)C12.
What is the InChIKey of methane;2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is KXYJKCCQKKIFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2.CH4/c1-8(2)11-7-12(9(3)4)14-13(11)15(18)17(10(5)6)16(14)19;/h8-14H,7H2,1-6H3;1H4.
What are the key properties of methane;2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
methane;2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 281.44 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 159273031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).