1,1-bis(cyanomethyl)-3-cyclopentylurea

C10H14N4O — CID 116653843

IUPAC1,1-bis(cyanomethyl)-3-cyclopentylurea
SMILESN#CCN(CC#N)C(=O)NC1CCCC1
InChIInChI=1S/C10H14N4O/c11-5-7-14(8-6-12)10(15)13-9-3-1-2-4-9/h9H,1-4,7-8H2,(H,13,15)
InChIKeyHNYLDRSHMUOUFA-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.99
Rot. Bonds3

About 1,1-bis(cyanomethyl)-3-cyclopentylurea

1,1-bis(cyanomethyl)-3-cyclopentylurea (PubChem CID 116653843) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 1,1-bis(cyanomethyl)-3-cyclopentylurea.

Molecular Properties

Compound Name1,1-bis(cyanomethyl)-3-cyclopentylurea
PubChem CID116653843
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name1,1-bis(cyanomethyl)-3-cyclopentylurea
SMILESN#CCN(CC#N)C(=O)NC1CCCC1
InChIInChI=1S/C10H14N4O/c11-5-7-14(8-6-12)10(15)13-9-3-1-2-4-9/h9H,1-4,7-8H2,(H,13,15)
InChIKeyHNYLDRSHMUOUFA-UHFFFAOYSA-N
XLogP0.99
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyanoethyl)-1-[2-[2-cyanoethyl(cyclohexylcarbamoyl)amino]ethyl]-3-cyclohexylurea
CID 4134451
2-cyano-N-cyclopentylacetamide
CID 5093205
3-cyclopentyl-1,1-bis(prop-2-enyl)urea
CID 108902716
1-benzyl-1-(2-cyanoethyl)-3-cyclohexylurea
CID 4685266
1-(2-cyanoethyl)-3-cyclohexyl-1-propan-2-ylurea
CID 54949286
1-butyl-3-cyclopentyl-1-propylurea
CID 108902721
3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
CID 115597933
2-[cyclohexylcarbamoyl(ethyl)amino]acetamide
CID 103101665
2-[(2-amino-2-oxoethyl)-(cyclooctylcarbamoyl)amino]acetic acid
CID 107437429
3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea
CID 115573886
3-cyclopentyl-1-(2-ethoxyethyl)-1-ethylurea
CID 115618266
3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 79386772

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(cyanomethyl)-3-cyclopentylurea?
The IUPAC name of 1,1-bis(cyanomethyl)-3-cyclopentylurea (CID 116653843) is 1,1-bis(cyanomethyl)-3-cyclopentylurea.
What is the SMILES notation for 1,1-bis(cyanomethyl)-3-cyclopentylurea?
The canonical SMILES for 1,1-bis(cyanomethyl)-3-cyclopentylurea is N#CCN(CC#N)C(=O)NC1CCCC1.
What is the InChIKey of 1,1-bis(cyanomethyl)-3-cyclopentylurea?
The InChIKey is HNYLDRSHMUOUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c11-5-7-14(8-6-12)10(15)13-9-3-1-2-4-9/h9H,1-4,7-8H2,(H,13,15).
What are the key properties of 1,1-bis(cyanomethyl)-3-cyclopentylurea?
1,1-bis(cyanomethyl)-3-cyclopentylurea has a molecular weight of 206.25 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(cyanomethyl)-3-cyclopentylurea is sourced from PubChem (CID 116653843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).