3-cyano-N-methyl-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide

C10H11N3O2 — CID 115184653

IUPAC3-cyano-N-methyl-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide
SMILESCN(C(=O)C1(C#N)COC1)c1cc[nH]c1
InChIInChI=1S/C10H11N3O2/c1-13(8-2-3-12-4-8)9(14)10(5-11)6-15-7-10/h2-4,12H,6-7H2,1H3
InChIKeyCJPLQBXHPGEWKP-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.52
Rot. Bonds2

About 3-cyano-N-methyl-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide

3-cyano-N-methyl-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide (PubChem CID 115184653) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-cyano-N-methyl-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-cyano-N-methyl-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide
PubChem CID115184653
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-cyano-N-methyl-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide
SMILESCN(C(=O)C1(C#N)COC1)c1cc[nH]c1
InChIInChI=1S/C10H11N3O2/c1-13(8-2-3-12-4-8)9(14)10(5-11)6-15-7-10/h2-4,12H,6-7H2,1H3
InChIKeyCJPLQBXHPGEWKP-UHFFFAOYSA-N
XLogP0.52
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-methyl-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide?
The IUPAC name of 3-cyano-N-methyl-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide (CID 115184653) is 3-cyano-N-methyl-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide.
What is the SMILES notation for 3-cyano-N-methyl-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide?
The canonical SMILES for 3-cyano-N-methyl-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide is CN(C(=O)C1(C#N)COC1)c1cc[nH]c1.
What is the InChIKey of 3-cyano-N-methyl-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide?
The InChIKey is CJPLQBXHPGEWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-13(8-2-3-12-4-8)9(14)10(5-11)6-15-7-10/h2-4,12H,6-7H2,1H3.
What are the key properties of 3-cyano-N-methyl-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide?
3-cyano-N-methyl-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide has a molecular weight of 205.22 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-methyl-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide is sourced from PubChem (CID 115184653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).