2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one

C16H25N3O — CID 79549276

IUPAC2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
SMILESCCn1cncc1CN1CCCC1C1CCCCC1=O
InChIInChI=1S/C16H25N3O/c1-2-18-12-17-10-13(18)11-19-9-5-7-15(19)14-6-3-4-8-16(14)20/h10,12,14-15H,2-9,11H2,1H3
InChIKeyBTPZYNGDODJZAX-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.63
Rot. Bonds4

About 2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one

2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 79549276) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID79549276
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
SMILESCCn1cncc1CN1CCCC1C1CCCCC1=O
InChIInChI=1S/C16H25N3O/c1-2-18-12-17-10-13(18)11-19-9-5-7-15(19)14-6-3-4-8-16(14)20/h10,12,14-15H,2-9,11H2,1H3
InChIKeyBTPZYNGDODJZAX-UHFFFAOYSA-N
XLogP2.63
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one (CID 79549276) is 2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one is CCn1cncc1CN1CCCC1C1CCCCC1=O.
What is the InChIKey of 2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is BTPZYNGDODJZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-18-12-17-10-13(18)11-19-9-5-7-15(19)14-6-3-4-8-16(14)20/h10,12,14-15H,2-9,11H2,1H3.
What are the key properties of 2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 275.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79549276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).