1-(2-cyanoethyl)-3-cyclopropyl-1-propan-2-ylurea

C10H17N3O — CID 62698921

IUPAC1-(2-cyanoethyl)-3-cyclopropyl-1-propan-2-ylurea
SMILESCC(C)N(CCC#N)C(=O)NC1CC1
InChIInChI=1S/C10H17N3O/c1-8(2)13(7-3-6-11)10(14)12-9-4-5-9/h8-9H,3-5,7H2,1-2H3,(H,12,14)
InChIKeyJZCRXFGYEITKNL-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.48
Rot. Bonds4

About 1-(2-cyanoethyl)-3-cyclopropyl-1-propan-2-ylurea

1-(2-cyanoethyl)-3-cyclopropyl-1-propan-2-ylurea (PubChem CID 62698921) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-3-cyclopropyl-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-cyanoethyl)-3-cyclopropyl-1-propan-2-ylurea
PubChem CID62698921
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(2-cyanoethyl)-3-cyclopropyl-1-propan-2-ylurea
SMILESCC(C)N(CCC#N)C(=O)NC1CC1
InChIInChI=1S/C10H17N3O/c1-8(2)13(7-3-6-11)10(14)12-9-4-5-9/h8-9H,3-5,7H2,1-2H3,(H,12,14)
InChIKeyJZCRXFGYEITKNL-UHFFFAOYSA-N
XLogP1.48
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-3-cyclopropyl-1-propan-2-ylurea?
The IUPAC name of 1-(2-cyanoethyl)-3-cyclopropyl-1-propan-2-ylurea (CID 62698921) is 1-(2-cyanoethyl)-3-cyclopropyl-1-propan-2-ylurea.
What is the SMILES notation for 1-(2-cyanoethyl)-3-cyclopropyl-1-propan-2-ylurea?
The canonical SMILES for 1-(2-cyanoethyl)-3-cyclopropyl-1-propan-2-ylurea is CC(C)N(CCC#N)C(=O)NC1CC1.
What is the InChIKey of 1-(2-cyanoethyl)-3-cyclopropyl-1-propan-2-ylurea?
The InChIKey is JZCRXFGYEITKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)13(7-3-6-11)10(14)12-9-4-5-9/h8-9H,3-5,7H2,1-2H3,(H,12,14).
What are the key properties of 1-(2-cyanoethyl)-3-cyclopropyl-1-propan-2-ylurea?
1-(2-cyanoethyl)-3-cyclopropyl-1-propan-2-ylurea has a molecular weight of 195.27 g/mol, XLogP of 1.48, 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-cyclopropyl-1-propan-2-ylurea is sourced from PubChem (CID 62698921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).