2-cyano-N-(2-methyl-2-propan-2-ylcyclopropyl)acetamide

C10H16N2O — CID 131198042

IUPAC2-cyano-N-(2-methyl-2-propan-2-ylcyclopropyl)acetamide
SMILESCC(C)C1(C)CC1NC(=O)CC#N
InChIInChI=1S/C10H16N2O/c1-7(2)10(3)6-8(10)12-9(13)4-5-11/h7-8H,4,6H2,1-3H3,(H,12,13)
InChIKeyIMKFEPSOLWIRDL-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.45
Rot. Bonds3

About 2-cyano-N-(2-methyl-2-propan-2-ylcyclopropyl)acetamide

2-cyano-N-(2-methyl-2-propan-2-ylcyclopropyl)acetamide (PubChem CID 131198042) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-cyano-N-(2-methyl-2-propan-2-ylcyclopropyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2-methyl-2-propan-2-ylcyclopropyl)acetamide
PubChem CID131198042
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-cyano-N-(2-methyl-2-propan-2-ylcyclopropyl)acetamide
SMILESCC(C)C1(C)CC1NC(=O)CC#N
InChIInChI=1S/C10H16N2O/c1-7(2)10(3)6-8(10)12-9(13)4-5-11/h7-8H,4,6H2,1-3H3,(H,12,13)
InChIKeyIMKFEPSOLWIRDL-UHFFFAOYSA-N
XLogP1.45
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[1-(2,2-dimethylcyclopropyl)ethyl]acetamide
CID 130956031
N-(2-methyl-2-propan-2-ylcyclopropyl)-3-(5-oxopyrrolidin-2-yl)propanamide
CID 128667930
N-(4-amino-4-methylcyclohexyl)-2-cyanoacetamide
CID 123316361
2-cyano-N-cyclopentylacetamide
CID 5093205
N,2-dimethyl-2-propan-2-ylcyclopropan-1-amine
CID 130855710
2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide
CID 61465317
2-cyano-N-[(1-methylcyclopropyl)methyl]acetamide
CID 104919970
2-cyano-N-(3,5-dimethyl-1-adamantyl)acetamide
CID 79997839
2-cyano-N-(oxan-4-yl)acetamide
CID 43610224
2-cyano-N-(1-methoxypropan-2-yl)acetamide
CID 3371821
2-cyano-N-(1-cyanocyclopropyl)acetamide
CID 131036144
2-cyano-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 64641675

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methyl-2-propan-2-ylcyclopropyl)acetamide?
The IUPAC name of 2-cyano-N-(2-methyl-2-propan-2-ylcyclopropyl)acetamide (CID 131198042) is 2-cyano-N-(2-methyl-2-propan-2-ylcyclopropyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2-methyl-2-propan-2-ylcyclopropyl)acetamide?
The canonical SMILES for 2-cyano-N-(2-methyl-2-propan-2-ylcyclopropyl)acetamide is CC(C)C1(C)CC1NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-(2-methyl-2-propan-2-ylcyclopropyl)acetamide?
The InChIKey is IMKFEPSOLWIRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)10(3)6-8(10)12-9(13)4-5-11/h7-8H,4,6H2,1-3H3,(H,12,13).
What are the key properties of 2-cyano-N-(2-methyl-2-propan-2-ylcyclopropyl)acetamide?
2-cyano-N-(2-methyl-2-propan-2-ylcyclopropyl)acetamide has a molecular weight of 180.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methyl-2-propan-2-ylcyclopropyl)acetamide is sourced from PubChem (CID 131198042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).