cyclopropyl-[(1S,5R)-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone

C16H21N3O2 — CID 168678780

IUPACcyclopropyl-[(1S,5R)-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone
SMILESCC(C)n1cnc(C(=O)N2C[C@@H]3C(C(=O)C4CC4)[C@@H]3C2)c1
InChIInChI=1S/C16H21N3O2/c1-9(2)19-7-13(17-8-19)16(21)18-5-11-12(6-18)14(11)15(20)10-3-4-10/h7-12,14H,3-6H2,1-2H3/t11-,12+,14?
InChIKeyYJQZYYAHVBHGEK-ONXXMXGDSA-N
MW287.36 g/mol
LogP1.76
Rot. Bonds4

About cyclopropyl-[(1S,5R)-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone

cyclopropyl-[(1S,5R)-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone (PubChem CID 168678780) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is cyclopropyl-[(1S,5R)-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(1S,5R)-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone
PubChem CID168678780
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Namecyclopropyl-[(1S,5R)-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone
SMILESCC(C)n1cnc(C(=O)N2C[C@@H]3C(C(=O)C4CC4)[C@@H]3C2)c1
InChIInChI=1S/C16H21N3O2/c1-9(2)19-7-13(17-8-19)16(21)18-5-11-12(6-18)14(11)15(20)10-3-4-10/h7-12,14H,3-6H2,1-2H3/t11-,12+,14?
InChIKeyYJQZYYAHVBHGEK-ONXXMXGDSA-N
XLogP1.76
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(1S,5R)-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone?
The IUPAC name of cyclopropyl-[(1S,5R)-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone (CID 168678780) is cyclopropyl-[(1S,5R)-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone.
What is the SMILES notation for cyclopropyl-[(1S,5R)-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone?
The canonical SMILES for cyclopropyl-[(1S,5R)-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone is CC(C)n1cnc(C(=O)N2C[C@@H]3C(C(=O)C4CC4)[C@@H]3C2)c1.
What is the InChIKey of cyclopropyl-[(1S,5R)-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone?
The InChIKey is YJQZYYAHVBHGEK-ONXXMXGDSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-9(2)19-7-13(17-8-19)16(21)18-5-11-12(6-18)14(11)15(20)10-3-4-10/h7-12,14H,3-6H2,1-2H3/t11-,12+,14?.
What are the key properties of cyclopropyl-[(1S,5R)-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone?
cyclopropyl-[(1S,5R)-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone has a molecular weight of 287.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(1S,5R)-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone is sourced from PubChem (CID 168678780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).