3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol

C9H15N3O — CID 79744249

IUPAC3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol
SMILESCCn1ccnc1CC1(O)CNC1
InChIInChI=1S/C9H15N3O/c1-2-12-4-3-11-8(12)5-9(13)6-10-7-9/h3-4,10,13H,2,5-7H2,1H3
InChIKeyMIJCIOVUNONGMG-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.22
Rot. Bonds3

About 3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol

3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol (PubChem CID 79744249) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol.

Molecular Properties

Compound Name3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol
PubChem CID79744249
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol
SMILESCCn1ccnc1CC1(O)CNC1
InChIInChI=1S/C9H15N3O/c1-2-12-4-3-11-8(12)5-9(13)6-10-7-9/h3-4,10,13H,2,5-7H2,1H3
InChIKeyMIJCIOVUNONGMG-UHFFFAOYSA-N
XLogP-0.22
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744578
1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol
CID 79744305
1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79744950
2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol
CID 79744060
3-[(1-ethylimidazol-2-yl)methyl]-3-fluoropiperidine
CID 112563016
1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429783
1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744670
1-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol
CID 79743744
4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine
CID 79743997
1-ethyl-2-(iodomethyl)imidazole
CID 64786618
3-[(1-ethylimidazol-2-yl)methyl]-3-methylcyclopentan-1-one
CID 116538582
4-(1-ethylimidazol-2-yl)piperidin-4-ol
CID 63975654

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol?
The IUPAC name of 3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol (CID 79744249) is 3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol.
What is the SMILES notation for 3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol?
The canonical SMILES for 3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol is CCn1ccnc1CC1(O)CNC1.
What is the InChIKey of 3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol?
The InChIKey is MIJCIOVUNONGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-12-4-3-11-8(12)5-9(13)6-10-7-9/h3-4,10,13H,2,5-7H2,1H3.
What are the key properties of 3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol?
3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol has a molecular weight of 181.24 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol is sourced from PubChem (CID 79744249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).