N-(1-cyanobutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C13H22N2O — CID 66475936

IUPACN-(1-cyanobutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCCC(CC#N)NC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C13H22N2O/c1-6-9(7-8-14)15-11(16)10-12(2,3)13(10,4)5/h9-10H,6-7H2,1-5H3,(H,15,16)
InChIKeyFBBWLNIQQSNDTC-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.48
Rot. Bonds4

About N-(1-cyanobutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-(1-cyanobutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 66475936) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(1-cyanobutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyanobutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID66475936
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(1-cyanobutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCCC(CC#N)NC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C13H22N2O/c1-6-9(7-8-14)15-11(16)10-12(2,3)13(10,4)5/h9-10H,6-7H2,1-5H3,(H,15,16)
InChIKeyFBBWLNIQQSNDTC-UHFFFAOYSA-N
XLogP2.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-cyanobutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 66475936) is N-(1-cyanobutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-cyanobutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-cyanobutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CCC(CC#N)NC(=O)C1C(C)(C)C1(C)C.
What is the InChIKey of N-(1-cyanobutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is FBBWLNIQQSNDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-6-9(7-8-14)15-11(16)10-12(2,3)13(10,4)5/h9-10H,6-7H2,1-5H3,(H,15,16).
What are the key properties of N-(1-cyanobutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-(1-cyanobutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 66475936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).