N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide

C12H22N2O — CID 115888716

IUPACN-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide
SMILESCCC1CCC(C)N1C(=O)NC1CCC1
InChIInChI=1S/C12H22N2O/c1-3-11-8-7-9(2)14(11)12(15)13-10-5-4-6-10/h9-11H,3-8H2,1-2H3,(H,13,15)
InChIKeyMYQYTLJMBDYJDU-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.51
Rot. Bonds2

About N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide

N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide (PubChem CID 115888716) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide
PubChem CID115888716
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide
SMILESCCC1CCC(C)N1C(=O)NC1CCC1
InChIInChI=1S/C12H22N2O/c1-3-11-8-7-9(2)14(11)12(15)13-10-5-4-6-10/h9-11H,3-8H2,1-2H3,(H,13,15)
InChIKeyMYQYTLJMBDYJDU-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 327479
1-Cyclobutyl-3-octylurea
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CID 2784599
N-(1-Cyclohexylpyrrolidin-3-yl)-N'-propan-2-ylcarbamimidic acid
CID 209545
N-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide
CID 110196370
N-Propyl-2-[(pyrrolidin-1-YL)methyl]azepane-1-carboxamide
CID 110196372
3-Cycloheptyl-1,1-diethylurea
CID 2991669
3,3-Dimethyl-1-((1-methylpyrrolidin-2-yl)methyl)urea
CID 110470360
N-(Propan-2-YL)-2-[(pyrrolidin-1-YL)methyl]azepane-1-carboxamide
CID 110196371
d-4-n-Hexylimidazolidone
CID 9834077
1-Dodecylimidazolidin-2-one
CID 13052967
Hexylimidazolidone
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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide (CID 115888716) is N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide is CCC1CCC(C)N1C(=O)NC1CCC1.
What is the InChIKey of N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide?
The InChIKey is MYQYTLJMBDYJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-11-8-7-9(2)14(11)12(15)13-10-5-4-6-10/h9-11H,3-8H2,1-2H3,(H,13,15).
What are the key properties of N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide?
N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 115888716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).