N-(2-cyanopropyl)cyclooctanecarboxamide

C13H22N2O — CID 65018661

IUPACN-(2-cyanopropyl)cyclooctanecarboxamide
SMILESCC(C#N)CNC(=O)C1CCCCCCC1
InChIInChI=1S/C13H22N2O/c1-11(9-14)10-15-13(16)12-7-5-3-2-4-6-8-12/h11-12H,2-8,10H2,1H3,(H,15,16)
InChIKeyKZVZPAKTOIDPQF-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.62
Rot. Bonds3

About N-(2-cyanopropyl)cyclooctanecarboxamide

N-(2-cyanopropyl)cyclooctanecarboxamide (PubChem CID 65018661) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(2-cyanopropyl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)cyclooctanecarboxamide
PubChem CID65018661
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(2-cyanopropyl)cyclooctanecarboxamide
SMILESCC(C#N)CNC(=O)C1CCCCCCC1
InChIInChI=1S/C13H22N2O/c1-11(9-14)10-15-13(16)12-7-5-3-2-4-6-8-12/h11-12H,2-8,10H2,1H3,(H,15,16)
InChIKeyKZVZPAKTOIDPQF-UHFFFAOYSA-N
XLogP2.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
N-(2-cyanopropyl)oxane-2-carboxamide
CID 62652934
N-(2-chloropropyl)cyclopentanecarboxamide
CID 114296250
N-(2-cyanopropyl)-1,1-dioxothiane-2-carboxamide
CID 104519277
N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide
CID 114313551
N-(2-cyanopropyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104919622
N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide
CID 64539549
N-(2-bromo-3-ethylpentyl)cyclohexanecarboxamide
CID 106288109
N-(2-amino-4-methylpentyl)cyclooctanecarboxamide
CID 107158623
N-(3-cyanopropyl)cyclohexanecarboxamide
CID 62666827
N-(4-bromo-2-methylbutyl)cyclopentanecarboxamide
CID 114316713
N-prop-2-ynylcyclooctanecarboxamide
CID 65020760

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)cyclooctanecarboxamide?
The IUPAC name of N-(2-cyanopropyl)cyclooctanecarboxamide (CID 65018661) is N-(2-cyanopropyl)cyclooctanecarboxamide.
What is the SMILES notation for N-(2-cyanopropyl)cyclooctanecarboxamide?
The canonical SMILES for N-(2-cyanopropyl)cyclooctanecarboxamide is CC(C#N)CNC(=O)C1CCCCCCC1.
What is the InChIKey of N-(2-cyanopropyl)cyclooctanecarboxamide?
The InChIKey is KZVZPAKTOIDPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(9-14)10-15-13(16)12-7-5-3-2-4-6-8-12/h11-12H,2-8,10H2,1H3,(H,15,16).
What are the key properties of N-(2-cyanopropyl)cyclooctanecarboxamide?
N-(2-cyanopropyl)cyclooctanecarboxamide has a molecular weight of 222.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)cyclooctanecarboxamide is sourced from PubChem (CID 65018661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).