methyl (2Z)-2-(1-methylpyrrolidin-2-ylidene)acetate

C8H13NO2 — CID 74890594

IUPACmethyl (2Z)-2-(1-methylpyrrolidin-2-ylidene)acetate
SMILESCOC(=O)/C=C1/CCCN1C
InChIInChI=1S/C8H13NO2/c1-9-5-3-4-7(9)6-8(10)11-2/h6H,3-5H2,1-2H3/b7-6-
InChIKeyGROLDPDJZCHIQN-SREVYHEPSA-N
MW155.20 g/mol
LogP0.77
Rot. Bonds1

About methyl (2Z)-2-(1-methylpyrrolidin-2-ylidene)acetate

methyl (2Z)-2-(1-methylpyrrolidin-2-ylidene)acetate (PubChem CID 74890594) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl (2Z)-2-(1-methylpyrrolidin-2-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(1-methylpyrrolidin-2-ylidene)acetate
PubChem CID74890594
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl (2Z)-2-(1-methylpyrrolidin-2-ylidene)acetate
SMILESCOC(=O)/C=C1/CCCN1C
InChIInChI=1S/C8H13NO2/c1-9-5-3-4-7(9)6-8(10)11-2/h6H,3-5H2,1-2H3/b7-6-
InChIKeyGROLDPDJZCHIQN-SREVYHEPSA-N
XLogP0.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(1-methylpyrrolidin-2-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-(1-methylpyrrolidin-2-ylidene)acetate (CID 74890594) is methyl (2Z)-2-(1-methylpyrrolidin-2-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(1-methylpyrrolidin-2-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(1-methylpyrrolidin-2-ylidene)acetate is COC(=O)/C=C1/CCCN1C.
What is the InChIKey of methyl (2Z)-2-(1-methylpyrrolidin-2-ylidene)acetate?
The InChIKey is GROLDPDJZCHIQN-SREVYHEPSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9-5-3-4-7(9)6-8(10)11-2/h6H,3-5H2,1-2H3/b7-6-.
What are the key properties of methyl (2Z)-2-(1-methylpyrrolidin-2-ylidene)acetate?
methyl (2Z)-2-(1-methylpyrrolidin-2-ylidene)acetate has a molecular weight of 155.20 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(1-methylpyrrolidin-2-ylidene)acetate is sourced from PubChem (CID 74890594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).