1-(2-methylbuta-2,3-dienyl)pyrrolidine

C9H15N — CID 134995224

IUPAC1-(2-methylbuta-2,3-dienyl)pyrrolidine
SMILESC=C=C(C)CN1CCCC1
InChIInChI=1S/C9H15N/c1-3-9(2)8-10-6-4-5-7-10/h1,4-8H2,2H3
InChIKeyGYXQCYMECMAJCO-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.81
Rot. Bonds2

About 1-(2-methylbuta-2,3-dienyl)pyrrolidine

1-(2-methylbuta-2,3-dienyl)pyrrolidine (PubChem CID 134995224) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-(2-methylbuta-2,3-dienyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-methylbuta-2,3-dienyl)pyrrolidine
PubChem CID134995224
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-(2-methylbuta-2,3-dienyl)pyrrolidine
SMILESC=C=C(C)CN1CCCC1
InChIInChI=1S/C9H15N/c1-3-9(2)8-10-6-4-5-7-10/h1,4-8H2,2H3
InChIKeyGYXQCYMECMAJCO-UHFFFAOYSA-N
XLogP1.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbuta-2,3-dienyl)pyrrolidine?
The IUPAC name of 1-(2-methylbuta-2,3-dienyl)pyrrolidine (CID 134995224) is 1-(2-methylbuta-2,3-dienyl)pyrrolidine.
What is the SMILES notation for 1-(2-methylbuta-2,3-dienyl)pyrrolidine?
The canonical SMILES for 1-(2-methylbuta-2,3-dienyl)pyrrolidine is C=C=C(C)CN1CCCC1.
What is the InChIKey of 1-(2-methylbuta-2,3-dienyl)pyrrolidine?
The InChIKey is GYXQCYMECMAJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-9(2)8-10-6-4-5-7-10/h1,4-8H2,2H3.
What are the key properties of 1-(2-methylbuta-2,3-dienyl)pyrrolidine?
1-(2-methylbuta-2,3-dienyl)pyrrolidine has a molecular weight of 137.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbuta-2,3-dienyl)pyrrolidine is sourced from PubChem (CID 134995224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).