(2R,5S)-2-methyl-5-[(Z)-pent-1-enyl]pyrrolidine

C10H19N — CID 10920715

IUPAC(2R,5S)-2-methyl-5-[(Z)-pent-1-enyl]pyrrolidine
SMILESCCC/C=C\[C@@H]1CC[C@@H](C)N1
InChIInChI=1S/C10H19N/c1-3-4-5-6-10-8-7-9(2)11-10/h5-6,9-11H,3-4,7-8H2,1-2H3/b6-5-/t9-,10-/m1/s1
InChIKeyFZTNFYUAQSOSJE-KWMOZEJZSA-N
MW153.27 g/mol
LogP2.48
Rot. Bonds3

About (2R,5S)-2-methyl-5-[(Z)-pent-1-enyl]pyrrolidine

(2R,5S)-2-methyl-5-[(Z)-pent-1-enyl]pyrrolidine (PubChem CID 10920715) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (2R,5S)-2-methyl-5-[(Z)-pent-1-enyl]pyrrolidine.

Molecular Properties

Compound Name(2R,5S)-2-methyl-5-[(Z)-pent-1-enyl]pyrrolidine
PubChem CID10920715
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(2R,5S)-2-methyl-5-[(Z)-pent-1-enyl]pyrrolidine
SMILESCCC/C=C\[C@@H]1CC[C@@H](C)N1
InChIInChI=1S/C10H19N/c1-3-4-5-6-10-8-7-9(2)11-10/h5-6,9-11H,3-4,7-8H2,1-2H3/b6-5-/t9-,10-/m1/s1
InChIKeyFZTNFYUAQSOSJE-KWMOZEJZSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
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 (2R,5S)-2-methyl-5-[(Z)-pent-1-enyl]pyrrolidine?
The IUPAC name of (2R,5S)-2-methyl-5-[(Z)-pent-1-enyl]pyrrolidine (CID 10920715) is (2R,5S)-2-methyl-5-[(Z)-pent-1-enyl]pyrrolidine.
What is the SMILES notation for (2R,5S)-2-methyl-5-[(Z)-pent-1-enyl]pyrrolidine?
The canonical SMILES for (2R,5S)-2-methyl-5-[(Z)-pent-1-enyl]pyrrolidine is CCC/C=C\[C@@H]1CC[C@@H](C)N1.
What is the InChIKey of (2R,5S)-2-methyl-5-[(Z)-pent-1-enyl]pyrrolidine?
The InChIKey is FZTNFYUAQSOSJE-KWMOZEJZSA-N. The full InChI is InChI=1S/C10H19N/c1-3-4-5-6-10-8-7-9(2)11-10/h5-6,9-11H,3-4,7-8H2,1-2H3/b6-5-/t9-,10-/m1/s1.
What are the key properties of (2R,5S)-2-methyl-5-[(Z)-pent-1-enyl]pyrrolidine?
(2R,5S)-2-methyl-5-[(Z)-pent-1-enyl]pyrrolidine has a molecular weight of 153.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-methyl-5-[(Z)-pent-1-enyl]pyrrolidine is sourced from PubChem (CID 10920715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).