ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-iminoacetate

C10H12FN3O2 — CID 168793445

IUPACethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-iminoacetate
SMILES[H]/N=C(\C(=O)OCC)c1ncn2c1C[C@@H](F)C2
InChIInChI=1S/C10H12FN3O2/c1-2-16-10(15)8(12)9-7-3-6(11)4-14(7)5-13-9/h5-6,12H,2-4H2,1H3/b12-8-/t6-/m1/s1
InChIKeyVDMQSDKSCAGMJB-UMZRBQTHSA-N
MW225.22 g/mol
LogP0.71
Rot. Bonds3

About ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-iminoacetate

ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-iminoacetate (PubChem CID 168793445) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-iminoacetate.

Molecular Properties

Compound Nameethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-iminoacetate
PubChem CID168793445
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Nameethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-iminoacetate
SMILES[H]/N=C(\C(=O)OCC)c1ncn2c1C[C@@H](F)C2
InChIInChI=1S/C10H12FN3O2/c1-2-16-10(15)8(12)9-7-3-6(11)4-14(7)5-13-9/h5-6,12H,2-4H2,1H3/b12-8-/t6-/m1/s1
InChIKeyVDMQSDKSCAGMJB-UMZRBQTHSA-N
XLogP0.71
TPSA67.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 153380890
CID 153380890
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CID 155426468
CID 156505717
CID 156505717
CID 156505938
CID 156505938
CID 156506240
CID 156506240
CID 156506241
CID 156506241
CID 156636340
CID 156636340
CID 157801797
CID 157801797
CID 161138071
CID 161138071
CID 161560306
CID 161560306
CID 163658912
CID 163658912

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-iminoacetate?
The IUPAC name of ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-iminoacetate (CID 168793445) is ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-iminoacetate.
What is the SMILES notation for ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-iminoacetate?
The canonical SMILES for ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-iminoacetate is [H]/N=C(\C(=O)OCC)c1ncn2c1C[C@@H](F)C2.
What is the InChIKey of ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-iminoacetate?
The InChIKey is VDMQSDKSCAGMJB-UMZRBQTHSA-N. The full InChI is InChI=1S/C10H12FN3O2/c1-2-16-10(15)8(12)9-7-3-6(11)4-14(7)5-13-9/h5-6,12H,2-4H2,1H3/b12-8-/t6-/m1/s1.
What are the key properties of ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-iminoacetate?
ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-iminoacetate has a molecular weight of 225.22 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-iminoacetate is sourced from PubChem (CID 168793445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).