1-(2-propyl-1H-imidazol-5-yl)pentyl 2-methylprop-2-enoate

C15H24N2O2 — CID 139855136

IUPAC1-(2-propyl-1H-imidazol-5-yl)pentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCC)c1cnc(CCC)[nH]1
InChIInChI=1S/C15H24N2O2/c1-5-7-9-13(19-15(18)11(3)4)12-10-16-14(17-12)8-6-2/h10,13H,3,5-9H2,1-2,4H3,(H,16,17)
InChIKeyXTYQRCWOPBIYJV-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.71
Rot. Bonds8

About 1-(2-propyl-1H-imidazol-5-yl)pentyl 2-methylprop-2-enoate

1-(2-propyl-1H-imidazol-5-yl)pentyl 2-methylprop-2-enoate (PubChem CID 139855136) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(2-propyl-1H-imidazol-5-yl)pentyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(2-propyl-1H-imidazol-5-yl)pentyl 2-methylprop-2-enoate
PubChem CID139855136
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(2-propyl-1H-imidazol-5-yl)pentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCC)c1cnc(CCC)[nH]1
InChIInChI=1S/C15H24N2O2/c1-5-7-9-13(19-15(18)11(3)4)12-10-16-14(17-12)8-6-2/h10,13H,3,5-9H2,1-2,4H3,(H,16,17)
InChIKeyXTYQRCWOPBIYJV-UHFFFAOYSA-N
XLogP3.71
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylsulfanylphenyl)pentyl 2-methylprop-2-enoate
CID 156761879
1-phenylnonyl 2-methylprop-2-enoate
CID 22335755
1-phenyldecyl 2-methylprop-2-enoate
CID 140764423
1-(4-propylphenyl)propyl 2-methylprop-2-enoate
CID 174497650
(1-hydroxy-2-methylhexyl) 2-methylprop-2-enoate
CID 23431556
1-chloropentyl 2-methylprop-2-enoate
CID 174740582
1-methoxypentyl 2-methylprop-2-enoate
CID 140764289
undecan-5-yl 2-methylprop-2-enoate
CID 87158130
tridecan-5-yl 2-methylprop-2-enoate
CID 164546460
butyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]phosphanium
CID 175290626
1-ethoxypentyl 2-methylprop-2-enoate
CID 118268254
2,2-dimethyl-1-(2-propyl-1H-imidazol-5-yl)propan-1-ol
CID 150789348

Frequently Asked Questions

What is the IUPAC name of 1-(2-propyl-1H-imidazol-5-yl)pentyl 2-methylprop-2-enoate?
The IUPAC name of 1-(2-propyl-1H-imidazol-5-yl)pentyl 2-methylprop-2-enoate (CID 139855136) is 1-(2-propyl-1H-imidazol-5-yl)pentyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(2-propyl-1H-imidazol-5-yl)pentyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(2-propyl-1H-imidazol-5-yl)pentyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CCCC)c1cnc(CCC)[nH]1.
What is the InChIKey of 1-(2-propyl-1H-imidazol-5-yl)pentyl 2-methylprop-2-enoate?
The InChIKey is XTYQRCWOPBIYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-7-9-13(19-15(18)11(3)4)12-10-16-14(17-12)8-6-2/h10,13H,3,5-9H2,1-2,4H3,(H,16,17).
What are the key properties of 1-(2-propyl-1H-imidazol-5-yl)pentyl 2-methylprop-2-enoate?
1-(2-propyl-1H-imidazol-5-yl)pentyl 2-methylprop-2-enoate has a molecular weight of 264.37 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propyl-1H-imidazol-5-yl)pentyl 2-methylprop-2-enoate is sourced from PubChem (CID 139855136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).