[5-(aminomethyl)oxolan-2-yl]-(1-methylimidazol-2-yl)methanone

C10H15N3O2 — CID 116589054

IUPAC[5-(aminomethyl)oxolan-2-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)C1CCC(CN)O1
InChIInChI=1S/C10H15N3O2/c1-13-5-4-12-10(13)9(14)8-3-2-7(6-11)15-8/h4-5,7-8H,2-3,6,11H2,1H3
InChIKeyFSWKLPSJKTVDBO-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.11
Rot. Bonds3

About [5-(aminomethyl)oxolan-2-yl]-(1-methylimidazol-2-yl)methanone

[5-(aminomethyl)oxolan-2-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 116589054) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is [5-(aminomethyl)oxolan-2-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)oxolan-2-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID116589054
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name[5-(aminomethyl)oxolan-2-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)C1CCC(CN)O1
InChIInChI=1S/C10H15N3O2/c1-13-5-4-12-10(13)9(14)8-3-2-7(6-11)15-8/h4-5,7-8H,2-3,6,11H2,1H3
InChIKeyFSWKLPSJKTVDBO-UHFFFAOYSA-N
XLogP0.11
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)oxolan-2-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [5-(aminomethyl)oxolan-2-yl]-(1-methylimidazol-2-yl)methanone (CID 116589054) is [5-(aminomethyl)oxolan-2-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)oxolan-2-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [5-(aminomethyl)oxolan-2-yl]-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)C1CCC(CN)O1.
What is the InChIKey of [5-(aminomethyl)oxolan-2-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is FSWKLPSJKTVDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-5-4-12-10(13)9(14)8-3-2-7(6-11)15-8/h4-5,7-8H,2-3,6,11H2,1H3.
What are the key properties of [5-(aminomethyl)oxolan-2-yl]-(1-methylimidazol-2-yl)methanone?
[5-(aminomethyl)oxolan-2-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 209.25 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)oxolan-2-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 116589054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).