2-(ethylaminomethyl)furan-3-carbonitrile

C8H10N2O — CID 106887931

IUPAC2-(ethylaminomethyl)furan-3-carbonitrile
SMILESCCNCc1occc1C#N
InChIInChI=1S/C8H10N2O/c1-2-10-6-8-7(5-9)3-4-11-8/h3-4,10H,2,6H2,1H3
InChIKeyHWYGZFBWEKIOMU-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.26
Rot. Bonds3

About 2-(ethylaminomethyl)furan-3-carbonitrile

2-(ethylaminomethyl)furan-3-carbonitrile (PubChem CID 106887931) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(ethylaminomethyl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-(ethylaminomethyl)furan-3-carbonitrile
PubChem CID106887931
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-(ethylaminomethyl)furan-3-carbonitrile
SMILESCCNCc1occc1C#N
InChIInChI=1S/C8H10N2O/c1-2-10-6-8-7(5-9)3-4-11-8/h3-4,10H,2,6H2,1H3
InChIKeyHWYGZFBWEKIOMU-UHFFFAOYSA-N
XLogP1.26
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)furan-3-carbonitrile?
The IUPAC name of 2-(ethylaminomethyl)furan-3-carbonitrile (CID 106887931) is 2-(ethylaminomethyl)furan-3-carbonitrile.
What is the SMILES notation for 2-(ethylaminomethyl)furan-3-carbonitrile?
The canonical SMILES for 2-(ethylaminomethyl)furan-3-carbonitrile is CCNCc1occc1C#N.
What is the InChIKey of 2-(ethylaminomethyl)furan-3-carbonitrile?
The InChIKey is HWYGZFBWEKIOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-2-10-6-8-7(5-9)3-4-11-8/h3-4,10H,2,6H2,1H3.
What are the key properties of 2-(ethylaminomethyl)furan-3-carbonitrile?
2-(ethylaminomethyl)furan-3-carbonitrile has a molecular weight of 150.18 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)furan-3-carbonitrile is sourced from PubChem (CID 106887931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).