tert-butyl N-[2-hydroxy-1-[3-[(E)-pent-3-enyl]imidazol-4-yl]ethyl]carbamate

C15H25N3O3 — CID 114707538

IUPACtert-butyl N-[2-hydroxy-1-[3-[(E)-pent-3-enyl]imidazol-4-yl]ethyl]carbamate
SMILESC/C=C/CCn1cncc1C(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O3/c1-5-6-7-8-18-11-16-9-13(18)12(10-19)17-14(20)21-15(2,3)4/h5-6,9,11-12,19H,7-8,10H2,1-4H3,(H,17,20)/b6-5+
InChIKeyWFSHLSLOKHDHAU-AATRIKPKSA-N
MW295.38 g/mol
LogP2.41
Rot. Bonds6

About tert-butyl N-[2-hydroxy-1-[3-[(E)-pent-3-enyl]imidazol-4-yl]ethyl]carbamate

tert-butyl N-[2-hydroxy-1-[3-[(E)-pent-3-enyl]imidazol-4-yl]ethyl]carbamate (PubChem CID 114707538) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl N-[2-hydroxy-1-[3-[(E)-pent-3-enyl]imidazol-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-hydroxy-1-[3-[(E)-pent-3-enyl]imidazol-4-yl]ethyl]carbamate
PubChem CID114707538
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Nametert-butyl N-[2-hydroxy-1-[3-[(E)-pent-3-enyl]imidazol-4-yl]ethyl]carbamate
SMILESC/C=C/CCn1cncc1C(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O3/c1-5-6-7-8-18-11-16-9-13(18)12(10-19)17-14(20)21-15(2,3)4/h5-6,9,11-12,19H,7-8,10H2,1-4H3,(H,17,20)/b6-5+
InChIKeyWFSHLSLOKHDHAU-AATRIKPKSA-N
XLogP2.41
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-hydroxy-1-[3-[(E)-pent-3-enyl]imidazol-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-hydroxy-1-[3-[(E)-pent-3-enyl]imidazol-4-yl]ethyl]carbamate (CID 114707538) is tert-butyl N-[2-hydroxy-1-[3-[(E)-pent-3-enyl]imidazol-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-hydroxy-1-[3-[(E)-pent-3-enyl]imidazol-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-hydroxy-1-[3-[(E)-pent-3-enyl]imidazol-4-yl]ethyl]carbamate is C/C=C/CCn1cncc1C(CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-hydroxy-1-[3-[(E)-pent-3-enyl]imidazol-4-yl]ethyl]carbamate?
The InChIKey is WFSHLSLOKHDHAU-AATRIKPKSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-5-6-7-8-18-11-16-9-13(18)12(10-19)17-14(20)21-15(2,3)4/h5-6,9,11-12,19H,7-8,10H2,1-4H3,(H,17,20)/b6-5+.
What are the key properties of tert-butyl N-[2-hydroxy-1-[3-[(E)-pent-3-enyl]imidazol-4-yl]ethyl]carbamate?
tert-butyl N-[2-hydroxy-1-[3-[(E)-pent-3-enyl]imidazol-4-yl]ethyl]carbamate has a molecular weight of 295.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-hydroxy-1-[3-[(E)-pent-3-enyl]imidazol-4-yl]ethyl]carbamate is sourced from PubChem (CID 114707538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).