2-(ethylamino)-2-(1H-pyrrol-2-yl)acetonitrile

C8H11N3 — CID 84816713

IUPAC2-(ethylamino)-2-(1H-pyrrol-2-yl)acetonitrile
SMILESCCNC(C#N)c1ccc[nH]1
InChIInChI=1S/C8H11N3/c1-2-10-8(6-9)7-4-3-5-11-7/h3-5,8,10-11H,2H2,1H3
InChIKeyGWDUXVZSBQZIMA-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.19
Rot. Bonds3

About 2-(ethylamino)-2-(1H-pyrrol-2-yl)acetonitrile

2-(ethylamino)-2-(1H-pyrrol-2-yl)acetonitrile (PubChem CID 84816713) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2-(ethylamino)-2-(1H-pyrrol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-(1H-pyrrol-2-yl)acetonitrile
PubChem CID84816713
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2-(ethylamino)-2-(1H-pyrrol-2-yl)acetonitrile
SMILESCCNC(C#N)c1ccc[nH]1
InChIInChI=1S/C8H11N3/c1-2-10-8(6-9)7-4-3-5-11-7/h3-5,8,10-11H,2H2,1H3
InChIKeyGWDUXVZSBQZIMA-UHFFFAOYSA-N
XLogP1.19
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylbutylamino)-2-(1H-pyrrol-2-yl)acetonitrile
CID 84817813
2-[[cyano(1H-pyrrol-2-yl)methyl]amino]acetic acid
CID 84816486
2-(cyclopentylamino)-2-(1H-pyrrol-2-yl)acetonitrile
CID 84816919
2-methylsulfanyl-2-(1H-pyrrol-2-yl)acetonitrile
CID 10397008
2-(2-chlorophenyl)-2-(ethylamino)acetonitrile
CID 25213809
N-[(2-methylsulfanylphenyl)-(1H-pyrrol-2-yl)methyl]ethanamine
CID 112742672
2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile
CID 63668597
4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile
CID 116910082
3-methyl-2-[methylamino(1H-pyrrol-2-yl)methyl]butanenitrile
CID 116960694
(1S)-1-(1H-pyrrol-2-yl)propan-1-ol
CID 78962664
N'-[1-(1H-pyrrol-2-yl)propyl]ethane-1,2-diamine
CID 70457656
2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile
CID 43115122

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-(1H-pyrrol-2-yl)acetonitrile?
The IUPAC name of 2-(ethylamino)-2-(1H-pyrrol-2-yl)acetonitrile (CID 84816713) is 2-(ethylamino)-2-(1H-pyrrol-2-yl)acetonitrile.
What is the SMILES notation for 2-(ethylamino)-2-(1H-pyrrol-2-yl)acetonitrile?
The canonical SMILES for 2-(ethylamino)-2-(1H-pyrrol-2-yl)acetonitrile is CCNC(C#N)c1ccc[nH]1.
What is the InChIKey of 2-(ethylamino)-2-(1H-pyrrol-2-yl)acetonitrile?
The InChIKey is GWDUXVZSBQZIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-2-10-8(6-9)7-4-3-5-11-7/h3-5,8,10-11H,2H2,1H3.
What are the key properties of 2-(ethylamino)-2-(1H-pyrrol-2-yl)acetonitrile?
2-(ethylamino)-2-(1H-pyrrol-2-yl)acetonitrile has a molecular weight of 149.20 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-(1H-pyrrol-2-yl)acetonitrile is sourced from PubChem (CID 84816713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).