1-[(2R)-2-methyl-4-methylidenepyrrolidin-1-yl]ethanone

C8H13NO — CID 146356943

IUPAC1-[(2R)-2-methyl-4-methylidenepyrrolidin-1-yl]ethanone
SMILESC=C1C[C@@H](C)N(C(C)=O)C1
InChIInChI=1S/C8H13NO/c1-6-4-7(2)9(5-6)8(3)10/h7H,1,4-5H2,2-3H3/t7-/m1/s1
InChIKeyBBAYUOGKDDWIKV-SSDOTTSWSA-N
MW139.20 g/mol
LogP1.18
Rot. Bonds

About 1-[(2R)-2-methyl-4-methylidenepyrrolidin-1-yl]ethanone

1-[(2R)-2-methyl-4-methylidenepyrrolidin-1-yl]ethanone (PubChem CID 146356943) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-4-methylidenepyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-methyl-4-methylidenepyrrolidin-1-yl]ethanone
PubChem CID146356943
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-[(2R)-2-methyl-4-methylidenepyrrolidin-1-yl]ethanone
SMILESC=C1C[C@@H](C)N(C(C)=O)C1
InChIInChI=1S/C8H13NO/c1-6-4-7(2)9(5-6)8(3)10/h7H,1,4-5H2,2-3H3/t7-/m1/s1
InChIKeyBBAYUOGKDDWIKV-SSDOTTSWSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.18
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 1-[(2R)-2-methyl-4-methylidenepyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-methyl-4-methylidenepyrrolidin-1-yl]ethanone (CID 146356943) is 1-[(2R)-2-methyl-4-methylidenepyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-methyl-4-methylidenepyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-methyl-4-methylidenepyrrolidin-1-yl]ethanone is C=C1C[C@@H](C)N(C(C)=O)C1.
What is the InChIKey of 1-[(2R)-2-methyl-4-methylidenepyrrolidin-1-yl]ethanone?
The InChIKey is BBAYUOGKDDWIKV-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-4-7(2)9(5-6)8(3)10/h7H,1,4-5H2,2-3H3/t7-/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-4-methylidenepyrrolidin-1-yl]ethanone?
1-[(2R)-2-methyl-4-methylidenepyrrolidin-1-yl]ethanone has a molecular weight of 139.20 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-4-methylidenepyrrolidin-1-yl]ethanone is sourced from PubChem (CID 146356943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).