3-cyano-1-propylazepane-2-carboxamide

C11H19N3O — CID 173208489

IUPAC3-cyano-1-propylazepane-2-carboxamide
SMILESCCCN1CCCCC(C#N)C1C(N)=O
InChIInChI=1S/C11H19N3O/c1-2-6-14-7-4-3-5-9(8-12)10(14)11(13)15/h9-10H,2-7H2,1H3,(H2,13,15)
InChIKeyVAVJWOIFKXEJCW-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.88
Rot. Bonds3

About 3-cyano-1-propylazepane-2-carboxamide

3-cyano-1-propylazepane-2-carboxamide (PubChem CID 173208489) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-cyano-1-propylazepane-2-carboxamide.

Molecular Properties

Compound Name3-cyano-1-propylazepane-2-carboxamide
PubChem CID173208489
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-cyano-1-propylazepane-2-carboxamide
SMILESCCCN1CCCCC(C#N)C1C(N)=O
InChIInChI=1S/C11H19N3O/c1-2-6-14-7-4-3-5-9(8-12)10(14)11(13)15/h9-10H,2-7H2,1H3,(H2,13,15)
InChIKeyVAVJWOIFKXEJCW-UHFFFAOYSA-N
XLogP0.88
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 142928283
1-propylpiperidine-4-carboxamide
CID 18678413
(2R)-N-methyl-1-propylpyrrolidine-2-carboxamide
CID 142459881
trans-ethyl (1R,2S)-2-cyanocyclohexane-1-carboxylate
CID 71407745
1-butylpyrrolidine-2-carboxamide
CID 19388617
1-(2-cyanocyclopentyl)azetidine-3-carboxamide
CID 131048718
ethyl 1-(2-cyanocyclohexyl)piperidine-3-carboxylate
CID 43291775
1-(cyanomethyl)-N-propylpiperidine-2-carboxamide
CID 10998275
propan-2-yl 1-propylpiperidine-2-carboxylate
CID 83982135
azane;2-bromo-1-propylpiperidine
CID 174988574
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488

Frequently Asked Questions

What is the IUPAC name of 3-cyano-1-propylazepane-2-carboxamide?
The IUPAC name of 3-cyano-1-propylazepane-2-carboxamide (CID 173208489) is 3-cyano-1-propylazepane-2-carboxamide.
What is the SMILES notation for 3-cyano-1-propylazepane-2-carboxamide?
The canonical SMILES for 3-cyano-1-propylazepane-2-carboxamide is CCCN1CCCCC(C#N)C1C(N)=O.
What is the InChIKey of 3-cyano-1-propylazepane-2-carboxamide?
The InChIKey is VAVJWOIFKXEJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-6-14-7-4-3-5-9(8-12)10(14)11(13)15/h9-10H,2-7H2,1H3,(H2,13,15).
What are the key properties of 3-cyano-1-propylazepane-2-carboxamide?
3-cyano-1-propylazepane-2-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-1-propylazepane-2-carboxamide is sourced from PubChem (CID 173208489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).