ethene;(5R)-5-methyl-1-propylpyrrolidin-2-one

C10H19NO — CID 145214159

IUPACethene;(5R)-5-methyl-1-propylpyrrolidin-2-one
SMILESC=C.CCCN1C(=O)CC[C@H]1C
InChIInChI=1S/C8H15NO.C2H4/c1-3-6-9-7(2)4-5-8(9)10;1-2/h7H,3-6H2,1-2H3;1-2H2/t7-;/m1./s1
InChIKeyUYIOUKAQOHPDOD-OGFXRTJISA-N
MW169.27 g/mol
LogP2.21
Rot. Bonds2

About ethene;(5R)-5-methyl-1-propylpyrrolidin-2-one

ethene;(5R)-5-methyl-1-propylpyrrolidin-2-one (PubChem CID 145214159) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is ethene;(5R)-5-methyl-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Nameethene;(5R)-5-methyl-1-propylpyrrolidin-2-one
PubChem CID145214159
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nameethene;(5R)-5-methyl-1-propylpyrrolidin-2-one
SMILESC=C.CCCN1C(=O)CC[C@H]1C
InChIInChI=1S/C8H15NO.C2H4/c1-3-6-9-7(2)4-5-8(9)10;1-2/h7H,3-6H2,1-2H3;1-2H2/t7-;/m1./s1
InChIKeyUYIOUKAQOHPDOD-OGFXRTJISA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;(5R)-5-methyl-1-propylpyrrolidin-2-one?
The IUPAC name of ethene;(5R)-5-methyl-1-propylpyrrolidin-2-one (CID 145214159) is ethene;(5R)-5-methyl-1-propylpyrrolidin-2-one.
What is the SMILES notation for ethene;(5R)-5-methyl-1-propylpyrrolidin-2-one?
The canonical SMILES for ethene;(5R)-5-methyl-1-propylpyrrolidin-2-one is C=C.CCCN1C(=O)CC[C@H]1C.
What is the InChIKey of ethene;(5R)-5-methyl-1-propylpyrrolidin-2-one?
The InChIKey is UYIOUKAQOHPDOD-OGFXRTJISA-N. The full InChI is InChI=1S/C8H15NO.C2H4/c1-3-6-9-7(2)4-5-8(9)10;1-2/h7H,3-6H2,1-2H3;1-2H2/t7-;/m1./s1.
What are the key properties of ethene;(5R)-5-methyl-1-propylpyrrolidin-2-one?
ethene;(5R)-5-methyl-1-propylpyrrolidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(5R)-5-methyl-1-propylpyrrolidin-2-one is sourced from PubChem (CID 145214159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).