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

C15H23N3O — CID 79546696

IUPAC2-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
SMILESCn1cncc1CN1CCCC1C1CCCCC1=O
InChIInChI=1S/C15H23N3O/c1-17-11-16-9-12(17)10-18-8-4-6-14(18)13-5-2-3-7-15(13)19/h9,11,13-14H,2-8,10H2,1H3
InChIKeySRWSAEIIHPDQHX-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.14
Rot. Bonds3

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

2-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 79546696) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID79546696
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
SMILESCn1cncc1CN1CCCC1C1CCCCC1=O
InChIInChI=1S/C15H23N3O/c1-17-11-16-9-12(17)10-18-8-4-6-14(18)13-5-2-3-7-15(13)19/h9,11,13-14H,2-8,10H2,1H3
InChIKeySRWSAEIIHPDQHX-UHFFFAOYSA-N
XLogP2.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one (CID 79546696) is 2-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one is Cn1cncc1CN1CCCC1C1CCCCC1=O.
What is the InChIKey of 2-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is SRWSAEIIHPDQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17-11-16-9-12(17)10-18-8-4-6-14(18)13-5-2-3-7-15(13)19/h9,11,13-14H,2-8,10H2,1H3.
What are the key properties of 2-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79546696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).