1-(2-cyanoethyl)-1-cyclopentylurea

C9H15N3O — CID 21444317

IUPAC1-(2-cyanoethyl)-1-cyclopentylurea
SMILESN#CCCN(C(N)=O)C1CCCC1
InChIInChI=1S/C9H15N3O/c10-6-3-7-12(9(11)13)8-4-1-2-5-8/h8H,1-5,7H2,(H2,11,13)
InChIKeyWZIDXHYJYCPRGU-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.22
Rot. Bonds3

About 1-(2-cyanoethyl)-1-cyclopentylurea

1-(2-cyanoethyl)-1-cyclopentylurea (PubChem CID 21444317) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-1-cyclopentylurea.

Molecular Properties

Compound Name1-(2-cyanoethyl)-1-cyclopentylurea
PubChem CID21444317
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(2-cyanoethyl)-1-cyclopentylurea
SMILESN#CCCN(C(N)=O)C1CCCC1
InChIInChI=1S/C9H15N3O/c10-6-3-7-12(9(11)13)8-4-1-2-5-8/h8H,1-5,7H2,(H2,11,13)
InChIKeyWZIDXHYJYCPRGU-UHFFFAOYSA-N
XLogP1.22
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Cyanoethyl)-1-cyclohexylurea
CID 249107
1-Cyclopentyl-1-methylurea
CID 294525
2-Cyanopyrrolidine-1-carboxamide
CID 18437386
1-Cyclopentyl-1-ethylurea
CID 20264263
1-(1-Cyanoethyl)-1-cyclopentylurea
CID 21444335
1-Butyl-1-cyclopentylurea
CID 21566314
1,1-Dicyclopentylurea
CID 67303599
N-carbamoyl-2-cyano-N-cyclopentylacetamide
CID 68892793
(2S)-2-cyanopyrrolidine-1-carboxamide
CID 69621980
1-Cyclopentyl-1-propylurea;hydrochloride
CID 172730148
1-Cyclopentyl-1-ethylurea;hydrochloride
CID 174303168
N-Cyclopentyl-N-propylurea
CID 45098503

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-1-cyclopentylurea?
The IUPAC name of 1-(2-cyanoethyl)-1-cyclopentylurea (CID 21444317) is 1-(2-cyanoethyl)-1-cyclopentylurea.
What is the SMILES notation for 1-(2-cyanoethyl)-1-cyclopentylurea?
The canonical SMILES for 1-(2-cyanoethyl)-1-cyclopentylurea is N#CCCN(C(N)=O)C1CCCC1.
What is the InChIKey of 1-(2-cyanoethyl)-1-cyclopentylurea?
The InChIKey is WZIDXHYJYCPRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-6-3-7-12(9(11)13)8-4-1-2-5-8/h8H,1-5,7H2,(H2,11,13).
What are the key properties of 1-(2-cyanoethyl)-1-cyclopentylurea?
1-(2-cyanoethyl)-1-cyclopentylurea has a molecular weight of 181.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-1-cyclopentylurea is sourced from PubChem (CID 21444317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).