6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-(1-adamantyl)carbamate

C17H23N3O2 — CID 130313063

IUPAC6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-(1-adamantyl)carbamate
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)OC1CCn2ccnc21
InChIInChI=1S/C17H23N3O2/c21-16(22-14-1-3-20-4-2-18-15(14)20)19-17-8-11-5-12(9-17)7-13(6-11)10-17/h2,4,11-14H,1,3,5-10H2,(H,19,21)
InChIKeyVQHMWQGWPAGKBC-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.02
Rot. Bonds2

About 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-(1-adamantyl)carbamate

6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-(1-adamantyl)carbamate (PubChem CID 130313063) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-(1-adamantyl)carbamate.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-(1-adamantyl)carbamate
PubChem CID130313063
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-(1-adamantyl)carbamate
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)OC1CCn2ccnc21
InChIInChI=1S/C17H23N3O2/c21-16(22-14-1-3-20-4-2-18-15(14)20)19-17-8-11-5-12(9-17)7-13(6-11)10-17/h2,4,11-14H,1,3,5-10H2,(H,19,21)
InChIKeyVQHMWQGWPAGKBC-UHFFFAOYSA-N
XLogP3.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-(1-adamantyl)carbamate?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-(1-adamantyl)carbamate (CID 130313063) is 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-(1-adamantyl)carbamate.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-(1-adamantyl)carbamate?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-(1-adamantyl)carbamate is O=C(NC12CC3CC(CC(C3)C1)C2)OC1CCn2ccnc21.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-(1-adamantyl)carbamate?
The InChIKey is VQHMWQGWPAGKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16(22-14-1-3-20-4-2-18-15(14)20)19-17-8-11-5-12(9-17)7-13(6-11)10-17/h2,4,11-14H,1,3,5-10H2,(H,19,21).
What are the key properties of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-(1-adamantyl)carbamate?
6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-(1-adamantyl)carbamate has a molecular weight of 301.39 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-(1-adamantyl)carbamate is sourced from PubChem (CID 130313063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).