1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide

C15H23N3O — CID 104971656

IUPAC1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
SMILESO=C(NCC[C@H]1CCCN1)c1cccn1C1CCC1
InChIInChI=1S/C15H23N3O/c19-15(17-10-8-12-4-2-9-16-12)14-7-3-11-18(14)13-5-1-6-13/h3,7,11-13,16H,1-2,4-6,8-10H2,(H,17,19)/t12-/m1/s1
InChIKeyKZXAIQIBDGTXEO-GFCCVEGCSA-N
MW261.37 g/mol
LogP2.09
Rot. Bonds5

About 1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide

1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide (PubChem CID 104971656) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
PubChem CID104971656
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
SMILESO=C(NCC[C@H]1CCCN1)c1cccn1C1CCC1
InChIInChI=1S/C15H23N3O/c19-15(17-10-8-12-4-2-9-16-12)14-7-3-11-18(14)13-5-1-6-13/h3,7,11-13,16H,1-2,4-6,8-10H2,(H,17,19)/t12-/m1/s1
InChIKeyKZXAIQIBDGTXEO-GFCCVEGCSA-N
XLogP2.09
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide (CID 104971656) is 1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide is O=C(NCC[C@H]1CCCN1)c1cccn1C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide?
The InChIKey is KZXAIQIBDGTXEO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O/c19-15(17-10-8-12-4-2-9-16-12)14-7-3-11-18(14)13-5-1-6-13/h3,7,11-13,16H,1-2,4-6,8-10H2,(H,17,19)/t12-/m1/s1.
What are the key properties of 1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide?
1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 104971656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).