4-methylidene-2-(propan-2-yloxymethyl)pyrrolidine

C9H17NO — CID 176568673

IUPAC4-methylidene-2-(propan-2-yloxymethyl)pyrrolidine
SMILESC=C1CNC(COC(C)C)C1
InChIInChI=1S/C9H17NO/c1-7(2)11-6-9-4-8(3)5-10-9/h7,9-10H,3-6H2,1-2H3
InChIKeyBCVXTYOAGYWKAI-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds3

About 4-methylidene-2-(propan-2-yloxymethyl)pyrrolidine

4-methylidene-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 176568673) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-methylidene-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name4-methylidene-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID176568673
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-methylidene-2-(propan-2-yloxymethyl)pyrrolidine
SMILESC=C1CNC(COC(C)C)C1
InChIInChI=1S/C9H17NO/c1-7(2)11-6-9-4-8(3)5-10-9/h7,9-10H,3-6H2,1-2H3
InChIKeyBCVXTYOAGYWKAI-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
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
(4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 166984384
(2S,3S,4Z)-N-ethyl-4-(fluoromethylidene)-2-propoxyhexan-3-amine
CID 177009735
2-(Pent-4-enoxymethyl)pyrrolidine
CID 64313140
2-(1-Methoxyethenyl)pyrrolidine
CID 91128615
N-(oxolan-2-ylmethyl)pent-4-en-2-amine
CID 116039434
N-(oxolan-2-ylmethyl)but-3-en-2-amine
CID 116145850
[(2S)-4-methylidenepyrrolidin-2-yl]methyl acetate
CID 118994793
4-Hex-5-enoxy-2-methylpyrrolidine
CID 123373294
(2S)-2-(1-ethoxyethenyl)pyrrolidine
CID 126635209
(2S)-N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
CID 130367671
(2R)-N-[[(2R)-oxolan-2-yl]methyl]pent-4-en-2-amine
CID 130367714

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-2-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of 4-methylidene-2-(propan-2-yloxymethyl)pyrrolidine (CID 176568673) is 4-methylidene-2-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for 4-methylidene-2-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for 4-methylidene-2-(propan-2-yloxymethyl)pyrrolidine is C=C1CNC(COC(C)C)C1.
What is the InChIKey of 4-methylidene-2-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is BCVXTYOAGYWKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)11-6-9-4-8(3)5-10-9/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 4-methylidene-2-(propan-2-yloxymethyl)pyrrolidine?
4-methylidene-2-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-2-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 176568673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).