N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide

C9H14N2O — CID 78924342

IUPACN-(cyanomethyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC#N)CCCC1
InChIInChI=1S/C9H14N2O/c1-9(4-2-3-5-9)8(12)11-7-6-10/h2-5,7H2,1H3,(H,11,12)
InChIKeyHTZXEYICXCVNEI-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.21
Rot. Bonds2

About N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide

N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 78924342) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-1-methylcyclopentane-1-carboxamide
PubChem CID78924342
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-(cyanomethyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC#N)CCCC1
InChIInChI=1S/C9H14N2O/c1-9(4-2-3-5-9)8(12)11-7-6-10/h2-5,7H2,1H3,(H,11,12)
InChIKeyHTZXEYICXCVNEI-UHFFFAOYSA-N
XLogP1.21
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide (CID 78924342) is N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide is CC1(C(=O)NCC#N)CCCC1.
What is the InChIKey of N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is HTZXEYICXCVNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-9(4-2-3-5-9)8(12)11-7-6-10/h2-5,7H2,1H3,(H,11,12).
What are the key properties of N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide?
N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 166.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 78924342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).