1-(1-cyanocyclooctyl)-3-cyclopropylurea

C13H21N3O — CID 62698920

IUPAC1-(1-cyanocyclooctyl)-3-cyclopropylurea
SMILESN#CC1(NC(=O)NC2CC2)CCCCCCC1
InChIInChI=1S/C13H21N3O/c14-10-13(8-4-2-1-3-5-9-13)16-12(17)15-11-6-7-11/h11H,1-9H2,(H2,15,16,17)
InChIKeyWYIMZGVVBDPLNX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.45
Rot. Bonds2

About 1-(1-cyanocyclooctyl)-3-cyclopropylurea

1-(1-cyanocyclooctyl)-3-cyclopropylurea (PubChem CID 62698920) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(1-cyanocyclooctyl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(1-cyanocyclooctyl)-3-cyclopropylurea
PubChem CID62698920
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(1-cyanocyclooctyl)-3-cyclopropylurea
SMILESN#CC1(NC(=O)NC2CC2)CCCCCCC1
InChIInChI=1S/C13H21N3O/c14-10-13(8-4-2-1-3-5-9-13)16-12(17)15-11-6-7-11/h11H,1-9H2,(H2,15,16,17)
InChIKeyWYIMZGVVBDPLNX-UHFFFAOYSA-N
XLogP2.45
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyanocyclohexyl)-3-cyclopropylurea
CID 55209173
1-(1-cyanocyclooctyl)-3-cyclohexylurea
CID 61124742
1-(1-cyanocyclooctyl)-3-(1,1-dioxothian-4-yl)urea
CID 167873077
1-(1-cyano-4-methylcyclohexyl)-3-cyclobutylurea
CID 116658255
1-(1-cyanocyclooctyl)-3-propan-2-ylurea
CID 61124743
N-(1-cyanocyclooctyl)cyclohexanecarboxamide
CID 54904581
1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 28702726
N-(1-cyanocyclooctyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79673741
(2S)-2-amino-N-(1-cyanocyclopentyl)-2-cyclohexylacetamide
CID 70338332
N-(1-cyanocyclohexyl)oxane-2-carboxamide
CID 62213888
1-(1-cyanocycloheptyl)-3-propylurea
CID 61124420
N-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79673742

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanocyclooctyl)-3-cyclopropylurea?
The IUPAC name of 1-(1-cyanocyclooctyl)-3-cyclopropylurea (CID 62698920) is 1-(1-cyanocyclooctyl)-3-cyclopropylurea.
What is the SMILES notation for 1-(1-cyanocyclooctyl)-3-cyclopropylurea?
The canonical SMILES for 1-(1-cyanocyclooctyl)-3-cyclopropylurea is N#CC1(NC(=O)NC2CC2)CCCCCCC1.
What is the InChIKey of 1-(1-cyanocyclooctyl)-3-cyclopropylurea?
The InChIKey is WYIMZGVVBDPLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-10-13(8-4-2-1-3-5-9-13)16-12(17)15-11-6-7-11/h11H,1-9H2,(H2,15,16,17).
What are the key properties of 1-(1-cyanocyclooctyl)-3-cyclopropylurea?
1-(1-cyanocyclooctyl)-3-cyclopropylurea has a molecular weight of 235.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanocyclooctyl)-3-cyclopropylurea is sourced from PubChem (CID 62698920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).