propan-2-yl 5-(1H-imidazol-2-yl)pentanoate

C11H18N2O2 — CID 173265153

IUPACpropan-2-yl 5-(1H-imidazol-2-yl)pentanoate
SMILESCC(C)OC(=O)CCCCc1ncc[nH]1
InChIInChI=1S/C11H18N2O2/c1-9(2)15-11(14)6-4-3-5-10-12-7-8-13-10/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyOMSWVVPYJHAMPC-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.07
Rot. Bonds6

About propan-2-yl 5-(1H-imidazol-2-yl)pentanoate

propan-2-yl 5-(1H-imidazol-2-yl)pentanoate (PubChem CID 173265153) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is propan-2-yl 5-(1H-imidazol-2-yl)pentanoate.

Molecular Properties

Compound Namepropan-2-yl 5-(1H-imidazol-2-yl)pentanoate
PubChem CID173265153
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Namepropan-2-yl 5-(1H-imidazol-2-yl)pentanoate
SMILESCC(C)OC(=O)CCCCc1ncc[nH]1
InChIInChI=1S/C11H18N2O2/c1-9(2)15-11(14)6-4-3-5-10-12-7-8-13-10/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyOMSWVVPYJHAMPC-UHFFFAOYSA-N
XLogP2.07
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-(1H-imidazol-2-yl)pentanoate?
The IUPAC name of propan-2-yl 5-(1H-imidazol-2-yl)pentanoate (CID 173265153) is propan-2-yl 5-(1H-imidazol-2-yl)pentanoate.
What is the SMILES notation for propan-2-yl 5-(1H-imidazol-2-yl)pentanoate?
The canonical SMILES for propan-2-yl 5-(1H-imidazol-2-yl)pentanoate is CC(C)OC(=O)CCCCc1ncc[nH]1.
What is the InChIKey of propan-2-yl 5-(1H-imidazol-2-yl)pentanoate?
The InChIKey is OMSWVVPYJHAMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(2)15-11(14)6-4-3-5-10-12-7-8-13-10/h7-9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of propan-2-yl 5-(1H-imidazol-2-yl)pentanoate?
propan-2-yl 5-(1H-imidazol-2-yl)pentanoate has a molecular weight of 210.28 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-(1H-imidazol-2-yl)pentanoate is sourced from PubChem (CID 173265153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).