3-(3-but-3-ynyldiazirin-3-yl)-N-propylpropanamide

C11H17N3O — CID 170526590

IUPAC3-(3-but-3-ynyldiazirin-3-yl)-N-propylpropanamide
SMILESC#CCCC1(CCC(=O)NCCC)N=N1
InChIInChI=1S/C11H17N3O/c1-3-5-7-11(13-14-11)8-6-10(15)12-9-4-2/h1H,4-9H2,2H3,(H,12,15)
InChIKeyCYVAYGJWWZAPCE-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.87
Rot. Bonds7

About 3-(3-but-3-ynyldiazirin-3-yl)-N-propylpropanamide

3-(3-but-3-ynyldiazirin-3-yl)-N-propylpropanamide (PubChem CID 170526590) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(3-but-3-ynyldiazirin-3-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(3-but-3-ynyldiazirin-3-yl)-N-propylpropanamide
PubChem CID170526590
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(3-but-3-ynyldiazirin-3-yl)-N-propylpropanamide
SMILESC#CCCC1(CCC(=O)NCCC)N=N1
InChIInChI=1S/C11H17N3O/c1-3-5-7-11(13-14-11)8-6-10(15)12-9-4-2/h1H,4-9H2,2H3,(H,12,15)
InChIKeyCYVAYGJWWZAPCE-UHFFFAOYSA-N
XLogP1.87
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-but-3-ynyldiazirin-3-yl)-N-[(propanoylamino)methyl]propanamide
CID 165022652
1-(3-but-3-ynyldiazirin-3-yl)-4-methylpentan-3-one
CID 162696946
3-(but-3-ynylamino)-N-propylpropanamide
CID 63656268
3-(3-but-3-ynyldiazirin-3-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 167901543
3-(3-but-3-ynyldiazirin-3-yl)-N-[(1-methylsulfonylazetidin-3-yl)methyl]propanamide
CID 154786265
3-(3-but-3-ynyldiazirin-3-yl)-N-[3-oxo-3-(pyridin-3-ylamino)propyl]propanamide
CID 166417757
N-propyl-N'-prop-2-ynylbutanediamide
CID 163636488
methyl 3-[2-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]ethylamino]benzoate
CID 167863790
3-(3-but-3-ynyldiazirin-3-yl)-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]propanamide
CID 167846037
3-(3-but-3-ynyldiazirin-3-yl)-N-[(3-chloro-5-ethylsulfonylphenyl)methyl]propanamide
CID 146152886
methyl 3-[2-[[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]methyl]phenyl]propanoate
CID 166418186
3-(3-but-3-ynyldiazirin-3-yl)-N-[2-(3-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]propanamide
CID 166429925

Frequently Asked Questions

What is the IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-propylpropanamide?
The IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-propylpropanamide (CID 170526590) is 3-(3-but-3-ynyldiazirin-3-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(3-but-3-ynyldiazirin-3-yl)-N-propylpropanamide?
The canonical SMILES for 3-(3-but-3-ynyldiazirin-3-yl)-N-propylpropanamide is C#CCCC1(CCC(=O)NCCC)N=N1.
What is the InChIKey of 3-(3-but-3-ynyldiazirin-3-yl)-N-propylpropanamide?
The InChIKey is CYVAYGJWWZAPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-5-7-11(13-14-11)8-6-10(15)12-9-4-2/h1H,4-9H2,2H3,(H,12,15).
What are the key properties of 3-(3-but-3-ynyldiazirin-3-yl)-N-propylpropanamide?
3-(3-but-3-ynyldiazirin-3-yl)-N-propylpropanamide has a molecular weight of 207.28 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-but-3-ynyldiazirin-3-yl)-N-propylpropanamide is sourced from PubChem (CID 170526590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).