(4Z)-4-ethylidene-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine

C11H21NO — CID 163575208

IUPAC(4Z)-4-ethylidene-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESC/C=C1/CC(COC(C)C)N(C)C1
InChIInChI=1S/C11H21NO/c1-5-10-6-11(12(4)7-10)8-13-9(2)3/h5,9,11H,6-8H2,1-4H3/b10-5-
InChIKeyBKOLJZJOOSLFLX-YHYXMXQVSA-N
MW183.29 g/mol
LogP2.06
Rot. Bonds3

About (4Z)-4-ethylidene-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine

(4Z)-4-ethylidene-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 163575208) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (4Z)-4-ethylidene-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name(4Z)-4-ethylidene-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID163575208
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(4Z)-4-ethylidene-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESC/C=C1/CC(COC(C)C)N(C)C1
InChIInChI=1S/C11H21NO/c1-5-10-6-11(12(4)7-10)8-13-9(2)3/h5,9,11H,6-8H2,1-4H3/b10-5-
InChIKeyBKOLJZJOOSLFLX-YHYXMXQVSA-N
XLogP2.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 163575204
6-Fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine
CID 166984317
(4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 166984384
(4Z)-4-(1-fluoroethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine
CID 172247047
(3E)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine
CID 176664030
(3Z)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine
CID 177009166
(3Z)-1-ethyl-3-(fluoromethylidene)-2-(1-methoxyethyl)pyrrolidine
CID 177009224
(2S,3E)-3-(fluoromethylidene)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine
CID 177009261
(2S,3E)-3-(fluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 177009290
(2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 177009364
(3E)-3-(fluoromethylidene)-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine
CID 177009370
(2S,3Z)-3-(fluoromethylidene)-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine
CID 177009465

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethylidene-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of (4Z)-4-ethylidene-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine (CID 163575208) is (4Z)-4-ethylidene-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for (4Z)-4-ethylidene-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for (4Z)-4-ethylidene-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine is C/C=C1/CC(COC(C)C)N(C)C1.
What is the InChIKey of (4Z)-4-ethylidene-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is BKOLJZJOOSLFLX-YHYXMXQVSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-10-6-11(12(4)7-10)8-13-9(2)3/h5,9,11H,6-8H2,1-4H3/b10-5-.
What are the key properties of (4Z)-4-ethylidene-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
(4Z)-4-ethylidene-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 183.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethylidene-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 163575208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).