2-(5-ethylfuran-2-carbonyl)-3-methylbutanenitrile

C12H15NO2 — CID 79094932

IUPAC2-(5-ethylfuran-2-carbonyl)-3-methylbutanenitrile
SMILESCCc1ccc(C(=O)C(C#N)C(C)C)o1
InChIInChI=1S/C12H15NO2/c1-4-9-5-6-11(15-9)12(14)10(7-13)8(2)3/h5-6,8,10H,4H2,1-3H3
InChIKeySRCWERMQBLSCSA-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.82
Rot. Bonds4

About 2-(5-ethylfuran-2-carbonyl)-3-methylbutanenitrile

2-(5-ethylfuran-2-carbonyl)-3-methylbutanenitrile (PubChem CID 79094932) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(5-ethylfuran-2-carbonyl)-3-methylbutanenitrile.

Molecular Properties

Compound Name2-(5-ethylfuran-2-carbonyl)-3-methylbutanenitrile
PubChem CID79094932
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(5-ethylfuran-2-carbonyl)-3-methylbutanenitrile
SMILESCCc1ccc(C(=O)C(C#N)C(C)C)o1
InChIInChI=1S/C12H15NO2/c1-4-9-5-6-11(15-9)12(14)10(7-13)8(2)3/h5-6,8,10H,4H2,1-3H3
InChIKeySRCWERMQBLSCSA-UHFFFAOYSA-N
XLogP2.82
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyano-3-(5-ethylfuran-2-yl)-N-methyl-3-oxopropanamide
CID 98450623
2-cyano-3-(5-ethylfuran-2-yl)-3-oxo-N-propylpropanamide
CID 60501121
1-(5-ethylfuran-2-yl)butan-1-one
CID 62344781
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
1-(5-ethylfuran-2-yl)-3-methyl-2-phenylpentan-1-one
CID 63498003
1-(5-ethylfuran-2-yl)prop-2-yn-1-one
CID 114978456
2-(5-chloro-2-methoxyphenyl)-3-(5-ethylfuran-2-yl)-3-oxopropanenitrile
CID 79095982
(5-chlorofuran-2-yl)-(5-ethylfuran-2-yl)methanone
CID 106683821
2-cyano-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 115188642
N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide
CID 112726773
4-(5-ethylfuran-2-yl)-3-propan-2-ylpent-3-en-2-one
CID 123170386
N-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide
CID 112726763

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylfuran-2-carbonyl)-3-methylbutanenitrile?
The IUPAC name of 2-(5-ethylfuran-2-carbonyl)-3-methylbutanenitrile (CID 79094932) is 2-(5-ethylfuran-2-carbonyl)-3-methylbutanenitrile.
What is the SMILES notation for 2-(5-ethylfuran-2-carbonyl)-3-methylbutanenitrile?
The canonical SMILES for 2-(5-ethylfuran-2-carbonyl)-3-methylbutanenitrile is CCc1ccc(C(=O)C(C#N)C(C)C)o1.
What is the InChIKey of 2-(5-ethylfuran-2-carbonyl)-3-methylbutanenitrile?
The InChIKey is SRCWERMQBLSCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-4-9-5-6-11(15-9)12(14)10(7-13)8(2)3/h5-6,8,10H,4H2,1-3H3.
What are the key properties of 2-(5-ethylfuran-2-carbonyl)-3-methylbutanenitrile?
2-(5-ethylfuran-2-carbonyl)-3-methylbutanenitrile has a molecular weight of 205.26 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylfuran-2-carbonyl)-3-methylbutanenitrile is sourced from PubChem (CID 79094932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).