cyclopenten-1-yl-(1-propylimidazol-2-yl)methanone

C12H16N2O — CID 103448076

IUPACcyclopenten-1-yl-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)C1=CCCC1
InChIInChI=1S/C12H16N2O/c1-2-8-14-9-7-13-12(14)11(15)10-5-3-4-6-10/h5,7,9H,2-4,6,8H2,1H3
InChIKeyAZVQZNKKLKVANC-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.59
Rot. Bonds4

About cyclopenten-1-yl-(1-propylimidazol-2-yl)methanone

cyclopenten-1-yl-(1-propylimidazol-2-yl)methanone (PubChem CID 103448076) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is cyclopenten-1-yl-(1-propylimidazol-2-yl)methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-(1-propylimidazol-2-yl)methanone
PubChem CID103448076
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Namecyclopenten-1-yl-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)C1=CCCC1
InChIInChI=1S/C12H16N2O/c1-2-8-14-9-7-13-12(14)11(15)10-5-3-4-6-10/h5,7,9H,2-4,6,8H2,1H3
InChIKeyAZVQZNKKLKVANC-UHFFFAOYSA-N
XLogP2.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohepten-1-yl-(1-ethylimidazol-2-yl)methanone
CID 103450449
(2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone
CID 114026338
(2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone
CID 61316276
(4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone
CID 63977127
(1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone
CID 116706985
(1-propylimidazol-2-yl)-pyrazin-2-ylmethanone
CID 63977108
(5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanone
CID 114822724
(1-propylimidazol-2-yl)-(4-propylpiperidin-4-yl)methanone
CID 116569222
2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone
CID 112574278
1-(1-propylimidazol-2-yl)pentan-1-one
CID 79404906
(3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone
CID 107099568
(4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone
CID 79206741

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-(1-propylimidazol-2-yl)methanone?
The IUPAC name of cyclopenten-1-yl-(1-propylimidazol-2-yl)methanone (CID 103448076) is cyclopenten-1-yl-(1-propylimidazol-2-yl)methanone.
What is the SMILES notation for cyclopenten-1-yl-(1-propylimidazol-2-yl)methanone?
The canonical SMILES for cyclopenten-1-yl-(1-propylimidazol-2-yl)methanone is CCCn1ccnc1C(=O)C1=CCCC1.
What is the InChIKey of cyclopenten-1-yl-(1-propylimidazol-2-yl)methanone?
The InChIKey is AZVQZNKKLKVANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-8-14-9-7-13-12(14)11(15)10-5-3-4-6-10/h5,7,9H,2-4,6,8H2,1H3.
What are the key properties of cyclopenten-1-yl-(1-propylimidazol-2-yl)methanone?
cyclopenten-1-yl-(1-propylimidazol-2-yl)methanone has a molecular weight of 204.27 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-(1-propylimidazol-2-yl)methanone is sourced from PubChem (CID 103448076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).