1-buta-2,3-dienyl-2-(methoxymethyl)pyrrolidine

C10H17NO — CID 57206021

IUPAC1-buta-2,3-dienyl-2-(methoxymethyl)pyrrolidine
SMILESC=C=CCN1CCCC1COC
InChIInChI=1S/C10H17NO/c1-3-4-7-11-8-5-6-10(11)9-12-2/h4,10H,1,5-9H2,2H3
InChIKeyWEWPSTFLAWVHDW-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.44
Rot. Bonds4

About 1-buta-2,3-dienyl-2-(methoxymethyl)pyrrolidine

1-buta-2,3-dienyl-2-(methoxymethyl)pyrrolidine (PubChem CID 57206021) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-buta-2,3-dienyl-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-buta-2,3-dienyl-2-(methoxymethyl)pyrrolidine
PubChem CID57206021
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-buta-2,3-dienyl-2-(methoxymethyl)pyrrolidine
SMILESC=C=CCN1CCCC1COC
InChIInChI=1S/C10H17NO/c1-3-4-7-11-8-5-6-10(11)9-12-2/h4,10H,1,5-9H2,2H3
InChIKeyWEWPSTFLAWVHDW-UHFFFAOYSA-N
XLogP1.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-buta-2,3-dienyl-2-(methoxymethyl)pyrrolidine?
The IUPAC name of 1-buta-2,3-dienyl-2-(methoxymethyl)pyrrolidine (CID 57206021) is 1-buta-2,3-dienyl-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 1-buta-2,3-dienyl-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for 1-buta-2,3-dienyl-2-(methoxymethyl)pyrrolidine is C=C=CCN1CCCC1COC.
What is the InChIKey of 1-buta-2,3-dienyl-2-(methoxymethyl)pyrrolidine?
The InChIKey is WEWPSTFLAWVHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-7-11-8-5-6-10(11)9-12-2/h4,10H,1,5-9H2,2H3.
What are the key properties of 1-buta-2,3-dienyl-2-(methoxymethyl)pyrrolidine?
1-buta-2,3-dienyl-2-(methoxymethyl)pyrrolidine has a molecular weight of 167.25 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-2,3-dienyl-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 57206021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).