1-(2-cyanopropyl)-3-cyclopropyl-1-ethylurea

C10H17N3O — CID 61356379

IUPAC1-(2-cyanopropyl)-3-cyclopropyl-1-ethylurea
SMILESCCN(CC(C)C#N)C(=O)NC1CC1
InChIInChI=1S/C10H17N3O/c1-3-13(7-8(2)6-11)10(14)12-9-4-5-9/h8-9H,3-5,7H2,1-2H3,(H,12,14)
InChIKeyVTGCJMFYKAIOSR-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.34
Rot. Bonds4

About 1-(2-cyanopropyl)-3-cyclopropyl-1-ethylurea

1-(2-cyanopropyl)-3-cyclopropyl-1-ethylurea (PubChem CID 61356379) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(2-cyanopropyl)-3-cyclopropyl-1-ethylurea.

Molecular Properties

Compound Name1-(2-cyanopropyl)-3-cyclopropyl-1-ethylurea
PubChem CID61356379
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(2-cyanopropyl)-3-cyclopropyl-1-ethylurea
SMILESCCN(CC(C)C#N)C(=O)NC1CC1
InChIInChI=1S/C10H17N3O/c1-3-13(7-8(2)6-11)10(14)12-9-4-5-9/h8-9H,3-5,7H2,1-2H3,(H,12,14)
InChIKeyVTGCJMFYKAIOSR-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanopropyl)-3-cyclopropyl-1-ethylurea?
The IUPAC name of 1-(2-cyanopropyl)-3-cyclopropyl-1-ethylurea (CID 61356379) is 1-(2-cyanopropyl)-3-cyclopropyl-1-ethylurea.
What is the SMILES notation for 1-(2-cyanopropyl)-3-cyclopropyl-1-ethylurea?
The canonical SMILES for 1-(2-cyanopropyl)-3-cyclopropyl-1-ethylurea is CCN(CC(C)C#N)C(=O)NC1CC1.
What is the InChIKey of 1-(2-cyanopropyl)-3-cyclopropyl-1-ethylurea?
The InChIKey is VTGCJMFYKAIOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-13(7-8(2)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-cyanopropyl)-3-cyclopropyl-1-ethylurea?
1-(2-cyanopropyl)-3-cyclopropyl-1-ethylurea has a molecular weight of 195.27 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanopropyl)-3-cyclopropyl-1-ethylurea is sourced from PubChem (CID 61356379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).