[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone

C10H15N3O2 — CID 103511362

IUPAC[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCC[C@H]1CO
InChIInChI=1S/C10H15N3O2/c1-12-7-11-5-9(12)10(15)13-4-2-3-8(13)6-14/h5,7-8,14H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyWRDPOIHQOHBKNP-QMMMGPOBSA-N
MW209.25 g/mol
LogP0.02
Rot. Bonds2

About [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone (PubChem CID 103511362) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
PubChem CID103511362
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCC[C@H]1CO
InChIInChI=1S/C10H15N3O2/c1-12-7-11-5-9(12)10(15)13-4-2-3-8(13)6-14/h5,7-8,14H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyWRDPOIHQOHBKNP-QMMMGPOBSA-N
XLogP0.02
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone (CID 103511362) is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The InChIKey is WRDPOIHQOHBKNP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-12-7-11-5-9(12)10(15)13-4-2-3-8(13)6-14/h5,7-8,14H,2-4,6H2,1H3/t8-/m0/s1.
What are the key properties of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone?
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone has a molecular weight of 209.25 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 103511362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).