1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrrolidin-2-imine

C11H17N3O — CID 79242180

IUPAC1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C(C)c1c(C)noc1C
InChIInChI=1S/C11H17N3O/c1-7-11(9(3)15-13-7)8(2)14-6-4-5-10(14)12/h8,12H,4-6H2,1-3H3/b12-10+
InChIKeyXQSBFTPRSSLBME-ZRDIBKRKSA-N
MW207.28 g/mol
LogP2.43
Rot. Bonds2

About 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrrolidin-2-imine

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrrolidin-2-imine (PubChem CID 79242180) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrrolidin-2-imine.

Molecular Properties

Compound Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrrolidin-2-imine
PubChem CID79242180
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C(C)c1c(C)noc1C
InChIInChI=1S/C11H17N3O/c1-7-11(9(3)15-13-7)8(2)14-6-4-5-10(14)12/h8,12H,4-6H2,1-3H3/b12-10+
InChIKeyXQSBFTPRSSLBME-ZRDIBKRKSA-N
XLogP2.43
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrrolidin-2-imine?
The IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrrolidin-2-imine (CID 79242180) is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrrolidin-2-imine.
What is the SMILES notation for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrrolidin-2-imine?
The canonical SMILES for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrrolidin-2-imine is [H]/N=C1\CCCN1C(C)c1c(C)noc1C.
What is the InChIKey of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrrolidin-2-imine?
The InChIKey is XQSBFTPRSSLBME-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7-11(9(3)15-13-7)8(2)14-6-4-5-10(14)12/h8,12H,4-6H2,1-3H3/b12-10+.
What are the key properties of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrrolidin-2-imine?
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrrolidin-2-imine has a molecular weight of 207.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrrolidin-2-imine is sourced from PubChem (CID 79242180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).