2-[1-(2-cyano-2-propan-2-ylcyclopropyl)propan-2-yl]cyclobutane-1-carbonitrile

C15H22N2 — CID 138580085

IUPAC2-[1-(2-cyano-2-propan-2-ylcyclopropyl)propan-2-yl]cyclobutane-1-carbonitrile
SMILESCC(CC1CC1(C#N)C(C)C)C1CCC1C#N
InChIInChI=1S/C15H22N2/c1-10(2)15(9-17)7-13(15)6-11(3)14-5-4-12(14)8-16/h10-14H,4-7H2,1-3H3
InChIKeyYCQPOISLQNWQCD-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.75
Rot. Bonds4

About 2-[1-(2-cyano-2-propan-2-ylcyclopropyl)propan-2-yl]cyclobutane-1-carbonitrile

2-[1-(2-cyano-2-propan-2-ylcyclopropyl)propan-2-yl]cyclobutane-1-carbonitrile (PubChem CID 138580085) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[1-(2-cyano-2-propan-2-ylcyclopropyl)propan-2-yl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name2-[1-(2-cyano-2-propan-2-ylcyclopropyl)propan-2-yl]cyclobutane-1-carbonitrile
PubChem CID138580085
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-[1-(2-cyano-2-propan-2-ylcyclopropyl)propan-2-yl]cyclobutane-1-carbonitrile
SMILESCC(CC1CC1(C#N)C(C)C)C1CCC1C#N
InChIInChI=1S/C15H22N2/c1-10(2)15(9-17)7-13(15)6-11(3)14-5-4-12(14)8-16/h10-14H,4-7H2,1-3H3
InChIKeyYCQPOISLQNWQCD-UHFFFAOYSA-N
XLogP3.75
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyano-2-propan-2-ylcyclopropyl)propan-2-yl]cyclobutane-1-carbonitrile?
The IUPAC name of 2-[1-(2-cyano-2-propan-2-ylcyclopropyl)propan-2-yl]cyclobutane-1-carbonitrile (CID 138580085) is 2-[1-(2-cyano-2-propan-2-ylcyclopropyl)propan-2-yl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 2-[1-(2-cyano-2-propan-2-ylcyclopropyl)propan-2-yl]cyclobutane-1-carbonitrile?
The canonical SMILES for 2-[1-(2-cyano-2-propan-2-ylcyclopropyl)propan-2-yl]cyclobutane-1-carbonitrile is CC(CC1CC1(C#N)C(C)C)C1CCC1C#N.
What is the InChIKey of 2-[1-(2-cyano-2-propan-2-ylcyclopropyl)propan-2-yl]cyclobutane-1-carbonitrile?
The InChIKey is YCQPOISLQNWQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-10(2)15(9-17)7-13(15)6-11(3)14-5-4-12(14)8-16/h10-14H,4-7H2,1-3H3.
What are the key properties of 2-[1-(2-cyano-2-propan-2-ylcyclopropyl)propan-2-yl]cyclobutane-1-carbonitrile?
2-[1-(2-cyano-2-propan-2-ylcyclopropyl)propan-2-yl]cyclobutane-1-carbonitrile has a molecular weight of 230.35 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyano-2-propan-2-ylcyclopropyl)propan-2-yl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 138580085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).