2-butylcyclopropane-1,1-dicarbonitrile

C9H12N2 — CID 13161523

IUPAC2-butylcyclopropane-1,1-dicarbonitrile
SMILESCCCCC1CC1(C#N)C#N
InChIInChI=1S/C9H12N2/c1-2-3-4-8-5-9(8,6-10)7-11/h8H,2-5H2,1H3
InChIKeyXUMAYXRMIHGRAR-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.23
Rot. Bonds3

About 2-butylcyclopropane-1,1-dicarbonitrile

2-butylcyclopropane-1,1-dicarbonitrile (PubChem CID 13161523) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-butylcyclopropane-1,1-dicarbonitrile.

Molecular Properties

Compound Name2-butylcyclopropane-1,1-dicarbonitrile
PubChem CID13161523
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2-butylcyclopropane-1,1-dicarbonitrile
SMILESCCCCC1CC1(C#N)C#N
InChIInChI=1S/C9H12N2/c1-2-3-4-8-5-9(8,6-10)7-11/h8H,2-5H2,1H3
InChIKeyXUMAYXRMIHGRAR-UHFFFAOYSA-N
XLogP2.23
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butylcyclopropane-1,1-dicarbonitrile?
The IUPAC name of 2-butylcyclopropane-1,1-dicarbonitrile (CID 13161523) is 2-butylcyclopropane-1,1-dicarbonitrile.
What is the SMILES notation for 2-butylcyclopropane-1,1-dicarbonitrile?
The canonical SMILES for 2-butylcyclopropane-1,1-dicarbonitrile is CCCCC1CC1(C#N)C#N.
What is the InChIKey of 2-butylcyclopropane-1,1-dicarbonitrile?
The InChIKey is XUMAYXRMIHGRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-3-4-8-5-9(8,6-10)7-11/h8H,2-5H2,1H3.
What are the key properties of 2-butylcyclopropane-1,1-dicarbonitrile?
2-butylcyclopropane-1,1-dicarbonitrile has a molecular weight of 148.21 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylcyclopropane-1,1-dicarbonitrile is sourced from PubChem (CID 13161523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).