(3,3-dimethylcyclopentyl)-(1H-imidazol-2-yl)methanone

C11H16N2O — CID 572591

IUPAC(3,3-dimethylcyclopentyl)-(1H-imidazol-2-yl)methanone
SMILESCC1(C)CCC(C(=O)c2ncc[nH]2)C1
InChIInChI=1S/C11H16N2O/c1-11(2)4-3-8(7-11)9(14)10-12-5-6-13-10/h5-6,8H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyKAEHOWVSCLEUEO-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.42
Rot. Bonds2

About (3,3-dimethylcyclopentyl)-(1H-imidazol-2-yl)methanone

(3,3-dimethylcyclopentyl)-(1H-imidazol-2-yl)methanone (PubChem CID 572591) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (3,3-dimethylcyclopentyl)-(1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylcyclopentyl)-(1H-imidazol-2-yl)methanone
PubChem CID572591
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(3,3-dimethylcyclopentyl)-(1H-imidazol-2-yl)methanone
SMILESCC1(C)CCC(C(=O)c2ncc[nH]2)C1
InChIInChI=1S/C11H16N2O/c1-11(2)4-3-8(7-11)9(14)10-12-5-6-13-10/h5-6,8H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyKAEHOWVSCLEUEO-UHFFFAOYSA-N
XLogP2.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylcyclopentyl)-(1H-imidazol-2-yl)methanone?
The IUPAC name of (3,3-dimethylcyclopentyl)-(1H-imidazol-2-yl)methanone (CID 572591) is (3,3-dimethylcyclopentyl)-(1H-imidazol-2-yl)methanone.
What is the SMILES notation for (3,3-dimethylcyclopentyl)-(1H-imidazol-2-yl)methanone?
The canonical SMILES for (3,3-dimethylcyclopentyl)-(1H-imidazol-2-yl)methanone is CC1(C)CCC(C(=O)c2ncc[nH]2)C1.
What is the InChIKey of (3,3-dimethylcyclopentyl)-(1H-imidazol-2-yl)methanone?
The InChIKey is KAEHOWVSCLEUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(2)4-3-8(7-11)9(14)10-12-5-6-13-10/h5-6,8H,3-4,7H2,1-2H3,(H,12,13).
What are the key properties of (3,3-dimethylcyclopentyl)-(1H-imidazol-2-yl)methanone?
(3,3-dimethylcyclopentyl)-(1H-imidazol-2-yl)methanone has a molecular weight of 192.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylcyclopentyl)-(1H-imidazol-2-yl)methanone is sourced from PubChem (CID 572591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).