3-[(1R,2R)-2-aminocyclohexyl]-1H-imidazol-2-one

C9H15N3O — CID 103124921

IUPAC3-[(1R,2R)-2-aminocyclohexyl]-1H-imidazol-2-one
SMILESN[C@@H]1CCCC[C@H]1n1cc[nH]c1=O
InChIInChI=1S/C9H15N3O/c10-7-3-1-2-4-8(7)12-6-5-11-9(12)13/h5-8H,1-4,10H2,(H,11,13)/t7-,8-/m1/s1
InChIKeyGPVNRVCYTSKEGA-HTQZYQBOSA-N
MW181.24 g/mol
LogP0.62
Rot. Bonds1

About 3-[(1R,2R)-2-aminocyclohexyl]-1H-imidazol-2-one

3-[(1R,2R)-2-aminocyclohexyl]-1H-imidazol-2-one (PubChem CID 103124921) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-[(1R,2R)-2-aminocyclohexyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[(1R,2R)-2-aminocyclohexyl]-1H-imidazol-2-one
PubChem CID103124921
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-[(1R,2R)-2-aminocyclohexyl]-1H-imidazol-2-one
SMILESN[C@@H]1CCCC[C@H]1n1cc[nH]c1=O
InChIInChI=1S/C9H15N3O/c10-7-3-1-2-4-8(7)12-6-5-11-9(12)13/h5-8H,1-4,10H2,(H,11,13)/t7-,8-/m1/s1
InChIKeyGPVNRVCYTSKEGA-HTQZYQBOSA-N
XLogP0.62
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-2-aminocyclohexyl]-1H-imidazol-2-one?
The IUPAC name of 3-[(1R,2R)-2-aminocyclohexyl]-1H-imidazol-2-one (CID 103124921) is 3-[(1R,2R)-2-aminocyclohexyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[(1R,2R)-2-aminocyclohexyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[(1R,2R)-2-aminocyclohexyl]-1H-imidazol-2-one is N[C@@H]1CCCC[C@H]1n1cc[nH]c1=O.
What is the InChIKey of 3-[(1R,2R)-2-aminocyclohexyl]-1H-imidazol-2-one?
The InChIKey is GPVNRVCYTSKEGA-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H15N3O/c10-7-3-1-2-4-8(7)12-6-5-11-9(12)13/h5-8H,1-4,10H2,(H,11,13)/t7-,8-/m1/s1.
What are the key properties of 3-[(1R,2R)-2-aminocyclohexyl]-1H-imidazol-2-one?
3-[(1R,2R)-2-aminocyclohexyl]-1H-imidazol-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-2-aminocyclohexyl]-1H-imidazol-2-one is sourced from PubChem (CID 103124921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).