1-(2-cyanoethyl)-3-cyclopentyl-1-cyclopropylurea

C12H19N3O — CID 78973040

IUPAC1-(2-cyanoethyl)-3-cyclopentyl-1-cyclopropylurea
SMILESN#CCCN(C(=O)NC1CCCC1)C1CC1
InChIInChI=1S/C12H19N3O/c13-8-3-9-15(11-6-7-11)12(16)14-10-4-1-2-5-10/h10-11H,1-7,9H2,(H,14,16)
InChIKeyOCDYHVSLGAPLIQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.02
Rot. Bonds4

About 1-(2-cyanoethyl)-3-cyclopentyl-1-cyclopropylurea

1-(2-cyanoethyl)-3-cyclopentyl-1-cyclopropylurea (PubChem CID 78973040) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-3-cyclopentyl-1-cyclopropylurea.

Molecular Properties

Compound Name1-(2-cyanoethyl)-3-cyclopentyl-1-cyclopropylurea
PubChem CID78973040
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(2-cyanoethyl)-3-cyclopentyl-1-cyclopropylurea
SMILESN#CCCN(C(=O)NC1CCCC1)C1CC1
InChIInChI=1S/C12H19N3O/c13-8-3-9-15(11-6-7-11)12(16)14-10-4-1-2-5-10/h10-11H,1-7,9H2,(H,14,16)
InChIKeyOCDYHVSLGAPLIQ-UHFFFAOYSA-N
XLogP2.02
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea
CID 53553549
3-Cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)urea
CID 116655116
1-Cyclopropyl-3-(3-fluorocyclopentyl)-1-methylurea
CID 167955508
3-Cyclopentyl-1,1-diethylurea
CID 3640751
3-Cyclopentyl-1,1-dimethylurea
CID 20300466
1-(2-Cyanoethyl)-1-cyclopentylurea
CID 21444317
1-Cyclopentyl-1,3-diethylurea
CID 66860832
1-Cyclopentyl-3-ethyl-1-methylurea
CID 66861967
1-Cyclopentyl-1-ethyl-3-methylurea
CID 66862164
3-Butyl-1-cyclopentyl-1-ethylurea
CID 90932056
1-Butyl-3-cyclopentyl-1-ethylurea
CID 91264492
3-Cyclopentyl-1-ethyl-1-methylurea
CID 91408228

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-3-cyclopentyl-1-cyclopropylurea?
The IUPAC name of 1-(2-cyanoethyl)-3-cyclopentyl-1-cyclopropylurea (CID 78973040) is 1-(2-cyanoethyl)-3-cyclopentyl-1-cyclopropylurea.
What is the SMILES notation for 1-(2-cyanoethyl)-3-cyclopentyl-1-cyclopropylurea?
The canonical SMILES for 1-(2-cyanoethyl)-3-cyclopentyl-1-cyclopropylurea is N#CCCN(C(=O)NC1CCCC1)C1CC1.
What is the InChIKey of 1-(2-cyanoethyl)-3-cyclopentyl-1-cyclopropylurea?
The InChIKey is OCDYHVSLGAPLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-8-3-9-15(11-6-7-11)12(16)14-10-4-1-2-5-10/h10-11H,1-7,9H2,(H,14,16).
What are the key properties of 1-(2-cyanoethyl)-3-cyclopentyl-1-cyclopropylurea?
1-(2-cyanoethyl)-3-cyclopentyl-1-cyclopropylurea has a molecular weight of 221.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-3-cyclopentyl-1-cyclopropylurea is sourced from PubChem (CID 78973040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).