N-(1-cyanocyclohexyl)propanamide

C10H16N2O — CID 22972528

IUPACN-(1-cyanocyclohexyl)propanamide
SMILESCCC(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C10H16N2O/c1-2-9(13)12-10(8-11)6-4-3-5-7-10/h2-7H2,1H3,(H,12,13)
InChIKeyHZGLVRYXSMOQKA-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.74
Rot. Bonds2

About N-(1-cyanocyclohexyl)propanamide

N-(1-cyanocyclohexyl)propanamide (PubChem CID 22972528) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)propanamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)propanamide
PubChem CID22972528
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-(1-cyanocyclohexyl)propanamide
SMILESCCC(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C10H16N2O/c1-2-9(13)12-10(8-11)6-4-3-5-7-10/h2-7H2,1H3,(H,12,13)
InChIKeyHZGLVRYXSMOQKA-UHFFFAOYSA-N
XLogP1.74
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)propanamide?
The IUPAC name of N-(1-cyanocyclohexyl)propanamide (CID 22972528) is N-(1-cyanocyclohexyl)propanamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)propanamide?
The canonical SMILES for N-(1-cyanocyclohexyl)propanamide is CCC(=O)NC1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)propanamide?
The InChIKey is HZGLVRYXSMOQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-9(13)12-10(8-11)6-4-3-5-7-10/h2-7H2,1H3,(H,12,13).
What are the key properties of N-(1-cyanocyclohexyl)propanamide?
N-(1-cyanocyclohexyl)propanamide has a molecular weight of 180.25 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)propanamide is sourced from PubChem (CID 22972528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).