2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetonitrile

C10H15N3 — CID 79099547

IUPAC2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetonitrile
SMILESCCNC(C)c1ccn(CC#N)c1
InChIInChI=1S/C10H15N3/c1-3-12-9(2)10-4-6-13(8-10)7-5-11/h4,6,8-9,12H,3,7H2,1-2H3
InChIKeyLKVXCYUFOTZFNT-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.68
Rot. Bonds4

About 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetonitrile

2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetonitrile (PubChem CID 79099547) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetonitrile
PubChem CID79099547
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetonitrile
SMILESCCNC(C)c1ccn(CC#N)c1
InChIInChI=1S/C10H15N3/c1-3-12-9(2)10-4-6-13(8-10)7-5-11/h4,6,8-9,12H,3,7H2,1-2H3
InChIKeyLKVXCYUFOTZFNT-UHFFFAOYSA-N
XLogP1.68
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]butanenitrile
CID 79099532
N-(cyanomethyl)-2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide
CID 79099531
4-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-2-methylbutan-2-ol
CID 79355617
2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 79099870
N-ethyl-1-[1-(4-phenylbutyl)pyrrol-3-yl]ethanamine
CID 114334322
N-ethyl-1-[1-(3-imidazol-1-ylpropyl)pyrrol-3-yl]ethanamine
CID 79098674
2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetonitrile
CID 79109579
N-ethyl-1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]ethanamine
CID 79099771
butyl 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate
CID 79099646
N-(cyanomethyl)-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide
CID 79104810
1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-3-yl]-N-ethylethanamine
CID 79099864
N-ethyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanamine
CID 79098248

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetonitrile?
The IUPAC name of 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetonitrile (CID 79099547) is 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetonitrile.
What is the SMILES notation for 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetonitrile?
The canonical SMILES for 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetonitrile is CCNC(C)c1ccn(CC#N)c1.
What is the InChIKey of 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetonitrile?
The InChIKey is LKVXCYUFOTZFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-12-9(2)10-4-6-13(8-10)7-5-11/h4,6,8-9,12H,3,7H2,1-2H3.
What are the key properties of 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetonitrile?
2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetonitrile has a molecular weight of 177.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetonitrile is sourced from PubChem (CID 79099547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).