1-[(3S)-1-propan-2-ylpyrrolidin-3-yl]imidazole

C10H17N3 — CID 59927644

IUPAC1-[(3S)-1-propan-2-ylpyrrolidin-3-yl]imidazole
SMILESCC(C)N1CC[C@H](n2ccnc2)C1
InChIInChI=1S/C10H17N3/c1-9(2)12-5-3-10(7-12)13-6-4-11-8-13/h4,6,8-10H,3,5,7H2,1-2H3/t10-/m0/s1
InChIKeyHRRUDHRZASXJQR-JTQLQIEISA-N
MW179.27 g/mol
LogP1.54
Rot. Bonds2

About 1-[(3S)-1-propan-2-ylpyrrolidin-3-yl]imidazole

1-[(3S)-1-propan-2-ylpyrrolidin-3-yl]imidazole (PubChem CID 59927644) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-[(3S)-1-propan-2-ylpyrrolidin-3-yl]imidazole.

Molecular Properties

Compound Name1-[(3S)-1-propan-2-ylpyrrolidin-3-yl]imidazole
PubChem CID59927644
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-[(3S)-1-propan-2-ylpyrrolidin-3-yl]imidazole
SMILESCC(C)N1CC[C@H](n2ccnc2)C1
InChIInChI=1S/C10H17N3/c1-9(2)12-5-3-10(7-12)13-6-4-11-8-13/h4,6,8-10H,3,5,7H2,1-2H3/t10-/m0/s1
InChIKeyHRRUDHRZASXJQR-JTQLQIEISA-N
XLogP1.54
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-propan-2-ylpyrrolidin-3-yl]imidazole?
The IUPAC name of 1-[(3S)-1-propan-2-ylpyrrolidin-3-yl]imidazole (CID 59927644) is 1-[(3S)-1-propan-2-ylpyrrolidin-3-yl]imidazole.
What is the SMILES notation for 1-[(3S)-1-propan-2-ylpyrrolidin-3-yl]imidazole?
The canonical SMILES for 1-[(3S)-1-propan-2-ylpyrrolidin-3-yl]imidazole is CC(C)N1CC[C@H](n2ccnc2)C1.
What is the InChIKey of 1-[(3S)-1-propan-2-ylpyrrolidin-3-yl]imidazole?
The InChIKey is HRRUDHRZASXJQR-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17N3/c1-9(2)12-5-3-10(7-12)13-6-4-11-8-13/h4,6,8-10H,3,5,7H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-[(3S)-1-propan-2-ylpyrrolidin-3-yl]imidazole?
1-[(3S)-1-propan-2-ylpyrrolidin-3-yl]imidazole has a molecular weight of 179.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-propan-2-ylpyrrolidin-3-yl]imidazole is sourced from PubChem (CID 59927644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).