3-[(1-ethylimidazol-2-yl)methyl]-3-methylcyclopentan-1-one

C12H18N2O — CID 116538582

IUPAC3-[(1-ethylimidazol-2-yl)methyl]-3-methylcyclopentan-1-one
SMILESCCn1ccnc1CC1(C)CCC(=O)C1
InChIInChI=1S/C12H18N2O/c1-3-14-7-6-13-11(14)9-12(2)5-4-10(15)8-12/h6-7H,3-5,8-9H2,1-2H3
InChIKeyHYWYVDKNSSTVGW-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.20
Rot. Bonds3

About 3-[(1-ethylimidazol-2-yl)methyl]-3-methylcyclopentan-1-one

3-[(1-ethylimidazol-2-yl)methyl]-3-methylcyclopentan-1-one (PubChem CID 116538582) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[(1-ethylimidazol-2-yl)methyl]-3-methylcyclopentan-1-one.

Molecular Properties

Compound Name3-[(1-ethylimidazol-2-yl)methyl]-3-methylcyclopentan-1-one
PubChem CID116538582
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-[(1-ethylimidazol-2-yl)methyl]-3-methylcyclopentan-1-one
SMILESCCn1ccnc1CC1(C)CCC(=O)C1
InChIInChI=1S/C12H18N2O/c1-3-14-7-6-13-11(14)9-12(2)5-4-10(15)8-12/h6-7H,3-5,8-9H2,1-2H3
InChIKeyHYWYVDKNSSTVGW-UHFFFAOYSA-N
XLogP2.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744578
2-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 79744347
4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine
CID 79743997
(3S)-3-methyl-3-propylcyclopentan-1-one
CID 171036794
1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol
CID 79744305
3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol
CID 79744249
4-[(1-ethylimidazol-2-yl)methyl]cyclohex-3-en-1-one
CID 83261739
1-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol
CID 79743744
3-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-one
CID 116538402
1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79744950
1-ethyl-2-(iodomethyl)imidazole
CID 64786618
2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol
CID 79744060

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylimidazol-2-yl)methyl]-3-methylcyclopentan-1-one?
The IUPAC name of 3-[(1-ethylimidazol-2-yl)methyl]-3-methylcyclopentan-1-one (CID 116538582) is 3-[(1-ethylimidazol-2-yl)methyl]-3-methylcyclopentan-1-one.
What is the SMILES notation for 3-[(1-ethylimidazol-2-yl)methyl]-3-methylcyclopentan-1-one?
The canonical SMILES for 3-[(1-ethylimidazol-2-yl)methyl]-3-methylcyclopentan-1-one is CCn1ccnc1CC1(C)CCC(=O)C1.
What is the InChIKey of 3-[(1-ethylimidazol-2-yl)methyl]-3-methylcyclopentan-1-one?
The InChIKey is HYWYVDKNSSTVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-14-7-6-13-11(14)9-12(2)5-4-10(15)8-12/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 3-[(1-ethylimidazol-2-yl)methyl]-3-methylcyclopentan-1-one?
3-[(1-ethylimidazol-2-yl)methyl]-3-methylcyclopentan-1-one has a molecular weight of 206.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylimidazol-2-yl)methyl]-3-methylcyclopentan-1-one is sourced from PubChem (CID 116538582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).