N-cyclopropyl-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-ethylacetamide

C15H22N2O2 — CID 79104153

IUPACN-cyclopropyl-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-ethylacetamide
SMILESCCN(C(=O)Cn1ccc(C(O)C2CC2)c1)C1CC1
InChIInChI=1S/C15H22N2O2/c1-2-17(13-5-6-13)14(18)10-16-8-7-12(9-16)15(19)11-3-4-11/h7-9,11,13,15,19H,2-6,10H2,1H3
InChIKeyZJRIVFUEYLHXQA-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.94
Rot. Bonds6

About N-cyclopropyl-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-ethylacetamide

N-cyclopropyl-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-ethylacetamide (PubChem CID 79104153) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-ethylacetamide
PubChem CID79104153
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-cyclopropyl-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-ethylacetamide
SMILESCCN(C(=O)Cn1ccc(C(O)C2CC2)c1)C1CC1
InChIInChI=1S/C15H22N2O2/c1-2-17(13-5-6-13)14(18)10-16-8-7-12(9-16)15(19)11-3-4-11/h7-9,11,13,15,19H,2-6,10H2,1H3
InChIKeyZJRIVFUEYLHXQA-UHFFFAOYSA-N
XLogP1.94
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-ethylacetamide?
The IUPAC name of N-cyclopropyl-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-ethylacetamide (CID 79104153) is N-cyclopropyl-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-ethylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-ethylacetamide?
The canonical SMILES for N-cyclopropyl-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-ethylacetamide is CCN(C(=O)Cn1ccc(C(O)C2CC2)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-ethylacetamide?
The InChIKey is ZJRIVFUEYLHXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-17(13-5-6-13)14(18)10-16-8-7-12(9-16)15(19)11-3-4-11/h7-9,11,13,15,19H,2-6,10H2,1H3.
What are the key properties of N-cyclopropyl-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-ethylacetamide?
N-cyclopropyl-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-ethylacetamide has a molecular weight of 262.35 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-ethylacetamide is sourced from PubChem (CID 79104153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).