N-[3-(2-cyanopropan-2-yl)-1-methylcyclopentyl]acetamide

C12H20N2O — CID 4020432

IUPACN-[3-(2-cyanopropan-2-yl)-1-methylcyclopentyl]acetamide
SMILESCC(=O)NC1(C)CCC(C(C)(C)C#N)C1
InChIInChI=1S/C12H20N2O/c1-9(15)14-12(4)6-5-10(7-12)11(2,3)8-13/h10H,5-7H2,1-4H3,(H,14,15)
InChIKeyRWTOSKRDSSDWMN-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.23
Rot. Bonds2

About N-[3-(2-cyanopropan-2-yl)-1-methylcyclopentyl]acetamide

N-[3-(2-cyanopropan-2-yl)-1-methylcyclopentyl]acetamide (PubChem CID 4020432) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-[3-(2-cyanopropan-2-yl)-1-methylcyclopentyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-cyanopropan-2-yl)-1-methylcyclopentyl]acetamide
PubChem CID4020432
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-[3-(2-cyanopropan-2-yl)-1-methylcyclopentyl]acetamide
SMILESCC(=O)NC1(C)CCC(C(C)(C)C#N)C1
InChIInChI=1S/C12H20N2O/c1-9(15)14-12(4)6-5-10(7-12)11(2,3)8-13/h10H,5-7H2,1-4H3,(H,14,15)
InChIKeyRWTOSKRDSSDWMN-UHFFFAOYSA-N
XLogP2.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyanopropan-2-yl)-1-methylcyclopentyl]acetamide?
The IUPAC name of N-[3-(2-cyanopropan-2-yl)-1-methylcyclopentyl]acetamide (CID 4020432) is N-[3-(2-cyanopropan-2-yl)-1-methylcyclopentyl]acetamide.
What is the SMILES notation for N-[3-(2-cyanopropan-2-yl)-1-methylcyclopentyl]acetamide?
The canonical SMILES for N-[3-(2-cyanopropan-2-yl)-1-methylcyclopentyl]acetamide is CC(=O)NC1(C)CCC(C(C)(C)C#N)C1.
What is the InChIKey of N-[3-(2-cyanopropan-2-yl)-1-methylcyclopentyl]acetamide?
The InChIKey is RWTOSKRDSSDWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(15)14-12(4)6-5-10(7-12)11(2,3)8-13/h10H,5-7H2,1-4H3,(H,14,15).
What are the key properties of N-[3-(2-cyanopropan-2-yl)-1-methylcyclopentyl]acetamide?
N-[3-(2-cyanopropan-2-yl)-1-methylcyclopentyl]acetamide has a molecular weight of 208.30 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyanopropan-2-yl)-1-methylcyclopentyl]acetamide is sourced from PubChem (CID 4020432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).