1-[3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]ethanone

C15H23N3O — CID 110198069

IUPAC1-[3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2ncc(C)n2CC2CC2)C1
InChIInChI=1S/C15H23N3O/c1-11-8-16-15(18(11)10-13-3-4-13)7-14-5-6-17(9-14)12(2)19/h8,13-14H,3-7,9-10H2,1-2H3
InChIKeyBJHZJRLHSIOETF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.01
Rot. Bonds4

About 1-[3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]ethanone

1-[3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 110198069) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID110198069
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2ncc(C)n2CC2CC2)C1
InChIInChI=1S/C15H23N3O/c1-11-8-16-15(18(11)10-13-3-4-13)7-14-5-6-17(9-14)12(2)19/h8,13-14H,3-7,9-10H2,1-2H3
InChIKeyBJHZJRLHSIOETF-UHFFFAOYSA-N
XLogP2.01
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]ethanone (CID 110198069) is 1-[3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(Cc2ncc(C)n2CC2CC2)C1.
What is the InChIKey of 1-[3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is BJHZJRLHSIOETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-8-16-15(18(11)10-13-3-4-13)7-14-5-6-17(9-14)12(2)19/h8,13-14H,3-7,9-10H2,1-2H3.
What are the key properties of 1-[3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]ethanone?
1-[3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110198069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).