(2S)-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine

C8H15N — CID 155396519

IUPAC(2S)-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine
SMILESC/C=C/[C@@H]1CCCN1C
InChIInChI=1S/C8H15N/c1-3-5-8-6-4-7-9(8)2/h3,5,8H,4,6-7H2,1-2H3/b5-3+/t8-/m1/s1
InChIKeyAWHPUKKOQLMNNT-RYEJSQLPSA-N
MW125.21 g/mol
LogP1.66
Rot. Bonds1

About (2S)-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine

(2S)-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine (PubChem CID 155396519) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (2S)-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine
PubChem CID155396519
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(2S)-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine
SMILESC/C=C/[C@@H]1CCCN1C
InChIInChI=1S/C8H15N/c1-3-5-8-6-4-7-9(8)2/h3,5,8H,4,6-7H2,1-2H3/b5-3+/t8-/m1/s1
InChIKeyAWHPUKKOQLMNNT-RYEJSQLPSA-N
XLogP1.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine?
The IUPAC name of (2S)-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine (CID 155396519) is (2S)-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine.
What is the SMILES notation for (2S)-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine?
The canonical SMILES for (2S)-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine is C/C=C/[C@@H]1CCCN1C.
What is the InChIKey of (2S)-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine?
The InChIKey is AWHPUKKOQLMNNT-RYEJSQLPSA-N. The full InChI is InChI=1S/C8H15N/c1-3-5-8-6-4-7-9(8)2/h3,5,8H,4,6-7H2,1-2H3/b5-3+/t8-/m1/s1.
What are the key properties of (2S)-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine?
(2S)-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine has a molecular weight of 125.21 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine is sourced from PubChem (CID 155396519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).