2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile

C12H15N3O — CID 80580990

IUPAC2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2ccn(C3CC3)c2=O)CC1
InChIInChI=1S/C12H15N3O/c13-6-5-12(3-4-12)9-14-7-8-15(11(14)16)10-1-2-10/h7-8,10H,1-5,9H2
InChIKeyKOBXKUIMYQDOKY-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.68
Rot. Bonds4

About 2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile

2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile (PubChem CID 80580990) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile
PubChem CID80580990
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2ccn(C3CC3)c2=O)CC1
InChIInChI=1S/C12H15N3O/c13-6-5-12(3-4-12)9-14-7-8-15(11(14)16)10-1-2-10/h7-8,10H,1-5,9H2
InChIKeyKOBXKUIMYQDOKY-UHFFFAOYSA-N
XLogP1.68
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile (CID 80580990) is 2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile is N#CCC1(Cn2ccn(C3CC3)c2=O)CC1.
What is the InChIKey of 2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile?
The InChIKey is KOBXKUIMYQDOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-6-5-12(3-4-12)9-14-7-8-15(11(14)16)10-1-2-10/h7-8,10H,1-5,9H2.
What are the key properties of 2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile?
2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 80580990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).