tert-butyl N-[cyclopropyl(1H-imidazol-2-yl)methyl]carbamate

C12H19N3O2 — CID 18934559

IUPACtert-butyl N-[cyclopropyl(1H-imidazol-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ncc[nH]1)C1CC1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-9(8-4-5-8)10-13-6-7-14-10/h6-9H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyUFHSEJFOAPVOQB-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.39
Rot. Bonds3

About tert-butyl N-[cyclopropyl(1H-imidazol-2-yl)methyl]carbamate

tert-butyl N-[cyclopropyl(1H-imidazol-2-yl)methyl]carbamate (PubChem CID 18934559) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-[cyclopropyl(1H-imidazol-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[cyclopropyl(1H-imidazol-2-yl)methyl]carbamate
PubChem CID18934559
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl N-[cyclopropyl(1H-imidazol-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ncc[nH]1)C1CC1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-9(8-4-5-8)10-13-6-7-14-10/h6-9H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyUFHSEJFOAPVOQB-UHFFFAOYSA-N
XLogP2.39
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[cyclopropyl(1H-imidazol-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[cyclopropyl(1H-imidazol-2-yl)methyl]carbamate (CID 18934559) is tert-butyl N-[cyclopropyl(1H-imidazol-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[cyclopropyl(1H-imidazol-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[cyclopropyl(1H-imidazol-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NC(c1ncc[nH]1)C1CC1.
What is the InChIKey of tert-butyl N-[cyclopropyl(1H-imidazol-2-yl)methyl]carbamate?
The InChIKey is UFHSEJFOAPVOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-9(8-4-5-8)10-13-6-7-14-10/h6-9H,4-5H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of tert-butyl N-[cyclopropyl(1H-imidazol-2-yl)methyl]carbamate?
tert-butyl N-[cyclopropyl(1H-imidazol-2-yl)methyl]carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[cyclopropyl(1H-imidazol-2-yl)methyl]carbamate is sourced from PubChem (CID 18934559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).