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

C11H15N3O — CID 80581592

IUPAC2-[1-[(3-ethyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile
SMILESCCn1ccn(CC2(CC#N)CC2)c1=O
InChIInChI=1S/C11H15N3O/c1-2-13-7-8-14(10(13)15)9-11(3-4-11)5-6-12/h7-8H,2-5,9H2,1H3
InChIKeyPSQVPCHZIIALCQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.36
Rot. Bonds4

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

2-[1-[(3-ethyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile (PubChem CID 80581592) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[1-[(3-ethyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(3-ethyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile
PubChem CID80581592
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-[1-[(3-ethyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile
SMILESCCn1ccn(CC2(CC#N)CC2)c1=O
InChIInChI=1S/C11H15N3O/c1-2-13-7-8-14(10(13)15)9-11(3-4-11)5-6-12/h7-8H,2-5,9H2,1H3
InChIKeyPSQVPCHZIIALCQ-UHFFFAOYSA-N
XLogP1.36
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-ethyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(3-ethyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile (CID 80581592) is 2-[1-[(3-ethyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(3-ethyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(3-ethyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile is CCn1ccn(CC2(CC#N)CC2)c1=O.
What is the InChIKey of 2-[1-[(3-ethyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile?
The InChIKey is PSQVPCHZIIALCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-13-7-8-14(10(13)15)9-11(3-4-11)5-6-12/h7-8H,2-5,9H2,1H3.
What are the key properties of 2-[1-[(3-ethyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile?
2-[1-[(3-ethyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile has a molecular weight of 205.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-ethyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 80581592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).