N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide

C12H22N2O2 — CID 83071544

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCC(O)C2CC2)CCCN1
InChIInChI=1S/C12H22N2O2/c1-2-12(6-3-7-14-12)11(16)13-8-10(15)9-4-5-9/h9-10,14-15H,2-8H2,1H3,(H,13,16)
InChIKeyZUSQOWOBKZXIGI-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.41
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide

N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide (PubChem CID 83071544) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide
PubChem CID83071544
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCC(O)C2CC2)CCCN1
InChIInChI=1S/C12H22N2O2/c1-2-12(6-3-7-14-12)11(16)13-8-10(15)9-4-5-9/h9-10,14-15H,2-8H2,1H3,(H,13,16)
InChIKeyZUSQOWOBKZXIGI-UHFFFAOYSA-N
XLogP0.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide (CID 83071544) is N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)NCC(O)C2CC2)CCCN1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is ZUSQOWOBKZXIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-12(6-3-7-14-12)11(16)13-8-10(15)9-4-5-9/h9-10,14-15H,2-8H2,1H3,(H,13,16).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83071544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).