[1-(1H-imidazol-2-yl)-2,2-dimethylpropyl] carbamate

C9H15N3O2 — CID 175546665

IUPAC[1-(1H-imidazol-2-yl)-2,2-dimethylpropyl] carbamate
SMILESCC(C)(C)C(OC(N)=O)c1ncc[nH]1
InChIInChI=1S/C9H15N3O2/c1-9(2,3)6(14-8(10)13)7-11-4-5-12-7/h4-6H,1-3H3,(H2,10,13)(H,11,12)
InChIKeyKPGLFBIVWUUXNY-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.59
Rot. Bonds2

About [1-(1H-imidazol-2-yl)-2,2-dimethylpropyl] carbamate

[1-(1H-imidazol-2-yl)-2,2-dimethylpropyl] carbamate (PubChem CID 175546665) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is [1-(1H-imidazol-2-yl)-2,2-dimethylpropyl] carbamate.

Molecular Properties

Compound Name[1-(1H-imidazol-2-yl)-2,2-dimethylpropyl] carbamate
PubChem CID175546665
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name[1-(1H-imidazol-2-yl)-2,2-dimethylpropyl] carbamate
SMILESCC(C)(C)C(OC(N)=O)c1ncc[nH]1
InChIInChI=1S/C9H15N3O2/c1-9(2,3)6(14-8(10)13)7-11-4-5-12-7/h4-6H,1-3H3,(H2,10,13)(H,11,12)
InChIKeyKPGLFBIVWUUXNY-UHFFFAOYSA-N
XLogP1.59
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1H-imidazol-2-yl)-2,2-dimethylpropyl] carbamate?
The IUPAC name of [1-(1H-imidazol-2-yl)-2,2-dimethylpropyl] carbamate (CID 175546665) is [1-(1H-imidazol-2-yl)-2,2-dimethylpropyl] carbamate.
What is the SMILES notation for [1-(1H-imidazol-2-yl)-2,2-dimethylpropyl] carbamate?
The canonical SMILES for [1-(1H-imidazol-2-yl)-2,2-dimethylpropyl] carbamate is CC(C)(C)C(OC(N)=O)c1ncc[nH]1.
What is the InChIKey of [1-(1H-imidazol-2-yl)-2,2-dimethylpropyl] carbamate?
The InChIKey is KPGLFBIVWUUXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,3)6(14-8(10)13)7-11-4-5-12-7/h4-6H,1-3H3,(H2,10,13)(H,11,12).
What are the key properties of [1-(1H-imidazol-2-yl)-2,2-dimethylpropyl] carbamate?
[1-(1H-imidazol-2-yl)-2,2-dimethylpropyl] carbamate has a molecular weight of 197.24 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-imidazol-2-yl)-2,2-dimethylpropyl] carbamate is sourced from PubChem (CID 175546665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).