methane;1-methylpyrrole;1-propan-2-ylpyrrolidin-2-one

C14H28N2O — CID 160536510

IUPACmethane;1-methylpyrrole;1-propan-2-ylpyrrolidin-2-one
SMILESC.C.CC(C)N1CCCC1=O.Cn1cccc1
InChIInChI=1S/C7H13NO.C5H7N.2CH4/c1-6(2)8-5-3-4-7(8)9;1-6-4-2-3-5-6;;/h6H,3-5H2,1-2H3;2-5H,1H3;2*1H4
InChIKeyQWFONJDOUSLEBA-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.31
Rot. Bonds1

About methane;1-methylpyrrole;1-propan-2-ylpyrrolidin-2-one

methane;1-methylpyrrole;1-propan-2-ylpyrrolidin-2-one (PubChem CID 160536510) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is methane;1-methylpyrrole;1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Namemethane;1-methylpyrrole;1-propan-2-ylpyrrolidin-2-one
PubChem CID160536510
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Namemethane;1-methylpyrrole;1-propan-2-ylpyrrolidin-2-one
SMILESC.C.CC(C)N1CCCC1=O.Cn1cccc1
InChIInChI=1S/C7H13NO.C5H7N.2CH4/c1-6(2)8-5-3-4-7(8)9;1-6-4-2-3-5-6;;/h6H,3-5H2,1-2H3;2-5H,1H3;2*1H4
InChIKeyQWFONJDOUSLEBA-UHFFFAOYSA-N
XLogP3.31
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methane;1-methylpyrrole;1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of methane;1-methylpyrrole;1-propan-2-ylpyrrolidin-2-one (CID 160536510) is methane;1-methylpyrrole;1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for methane;1-methylpyrrole;1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for methane;1-methylpyrrole;1-propan-2-ylpyrrolidin-2-one is C.C.CC(C)N1CCCC1=O.Cn1cccc1.
What is the InChIKey of methane;1-methylpyrrole;1-propan-2-ylpyrrolidin-2-one?
The InChIKey is QWFONJDOUSLEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C5H7N.2CH4/c1-6(2)8-5-3-4-7(8)9;1-6-4-2-3-5-6;;/h6H,3-5H2,1-2H3;2-5H,1H3;2*1H4.
What are the key properties of methane;1-methylpyrrole;1-propan-2-ylpyrrolidin-2-one?
methane;1-methylpyrrole;1-propan-2-ylpyrrolidin-2-one has a molecular weight of 240.39 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methylpyrrole;1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 160536510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).