1-[[(2S)-pyrrolidin-2-yl]methyl]-2,5-dihydropyrrole

C9H16N2 — CID 45088320

IUPAC1-[[(2S)-pyrrolidin-2-yl]methyl]-2,5-dihydropyrrole
SMILESC1=CCN(C[C@@H]2CCCN2)C1
InChIInChI=1S/C9H16N2/c1-2-7-11(6-1)8-9-4-3-5-10-9/h1-2,9-10H,3-8H2/t9-/m0/s1
InChIKeyBVQLRRUDBWMEOO-VIFPVBQESA-N
MW152.24 g/mol
LogP0.61
Rot. Bonds2

About 1-[[(2S)-pyrrolidin-2-yl]methyl]-2,5-dihydropyrrole

1-[[(2S)-pyrrolidin-2-yl]methyl]-2,5-dihydropyrrole (PubChem CID 45088320) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-[[(2S)-pyrrolidin-2-yl]methyl]-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-[[(2S)-pyrrolidin-2-yl]methyl]-2,5-dihydropyrrole
PubChem CID45088320
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-[[(2S)-pyrrolidin-2-yl]methyl]-2,5-dihydropyrrole
SMILESC1=CCN(C[C@@H]2CCCN2)C1
InChIInChI=1S/C9H16N2/c1-2-7-11(6-1)8-9-4-3-5-10-9/h1-2,9-10H,3-8H2/t9-/m0/s1
InChIKeyBVQLRRUDBWMEOO-VIFPVBQESA-N
XLogP0.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-[[(2S)-pyrrolidin-2-yl]methyl]-2,5-dihydropyrrole?
The IUPAC name of 1-[[(2S)-pyrrolidin-2-yl]methyl]-2,5-dihydropyrrole (CID 45088320) is 1-[[(2S)-pyrrolidin-2-yl]methyl]-2,5-dihydropyrrole.
What is the SMILES notation for 1-[[(2S)-pyrrolidin-2-yl]methyl]-2,5-dihydropyrrole?
The canonical SMILES for 1-[[(2S)-pyrrolidin-2-yl]methyl]-2,5-dihydropyrrole is C1=CCN(C[C@@H]2CCCN2)C1.
What is the InChIKey of 1-[[(2S)-pyrrolidin-2-yl]methyl]-2,5-dihydropyrrole?
The InChIKey is BVQLRRUDBWMEOO-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16N2/c1-2-7-11(6-1)8-9-4-3-5-10-9/h1-2,9-10H,3-8H2/t9-/m0/s1.
What are the key properties of 1-[[(2S)-pyrrolidin-2-yl]methyl]-2,5-dihydropyrrole?
1-[[(2S)-pyrrolidin-2-yl]methyl]-2,5-dihydropyrrole has a molecular weight of 152.24 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-pyrrolidin-2-yl]methyl]-2,5-dihydropyrrole is sourced from PubChem (CID 45088320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).