imidazol-1-yl pyrrolidine-1-carboxylate

C8H11N3O2 — CID 175327814

IUPACimidazol-1-yl pyrrolidine-1-carboxylate
SMILESO=C(On1ccnc1)N1CCCC1
InChIInChI=1S/C8H11N3O2/c12-8(10-4-1-2-5-10)13-11-6-3-9-7-11/h3,6-7H,1-2,4-5H2
InChIKeyQGSBHPBXRUIHHT-UHFFFAOYSA-N
MW181.20 g/mol
LogP0.53
Rot. Bonds1

About imidazol-1-yl pyrrolidine-1-carboxylate

imidazol-1-yl pyrrolidine-1-carboxylate (PubChem CID 175327814) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is imidazol-1-yl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameimidazol-1-yl pyrrolidine-1-carboxylate
PubChem CID175327814
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Nameimidazol-1-yl pyrrolidine-1-carboxylate
SMILESO=C(On1ccnc1)N1CCCC1
InChIInChI=1S/C8H11N3O2/c12-8(10-4-1-2-5-10)13-11-6-3-9-7-11/h3,6-7H,1-2,4-5H2
InChIKeyQGSBHPBXRUIHHT-UHFFFAOYSA-N
XLogP0.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

imidazol-1-yl 4-piperidin-1-ylbutanoate
CID 174984921
imidazol-1-yl 2-piperidin-1-ylethyl carbonate
CID 174985112
(2-oxo-2-pyrrolidin-1-ylethyl) imidazole-1-carboxylate
CID 134348666
ethyl imidazol-1-yl carbonate
CID 174735954
imidazol-1-yl but-3-enoate
CID 174567712
imidazol-1-yloxymethanol
CID 155678354
(2S)-2-imidazol-1-yloxycarbonyl-3-methylbutanoic acid
CID 67801595
imidazol-1-yl hexanoate;iron
CID 175419360
imidazol-1-yl tetradecanoate
CID 175546759
imidazol-1-yl heptanoate
CID 175410491
imidazol-1-yl 2-methylidenepent-4-enoate
CID 174970237
N-cyclopentyloxyimidazole-1-carboxamide
CID 83198309

Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl pyrrolidine-1-carboxylate?
The IUPAC name of imidazol-1-yl pyrrolidine-1-carboxylate (CID 175327814) is imidazol-1-yl pyrrolidine-1-carboxylate.
What is the SMILES notation for imidazol-1-yl pyrrolidine-1-carboxylate?
The canonical SMILES for imidazol-1-yl pyrrolidine-1-carboxylate is O=C(On1ccnc1)N1CCCC1.
What is the InChIKey of imidazol-1-yl pyrrolidine-1-carboxylate?
The InChIKey is QGSBHPBXRUIHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-8(10-4-1-2-5-10)13-11-6-3-9-7-11/h3,6-7H,1-2,4-5H2.
What are the key properties of imidazol-1-yl pyrrolidine-1-carboxylate?
imidazol-1-yl pyrrolidine-1-carboxylate has a molecular weight of 181.20 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl pyrrolidine-1-carboxylate is sourced from PubChem (CID 175327814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).