1-(1-cyanoethyl)-1-cyclopentylurea

C9H15N3O — CID 21444335

IUPAC1-(1-cyanoethyl)-1-cyclopentylurea
SMILESCC(C#N)N(C(N)=O)C1CCCC1
InChIInChI=1S/C9H15N3O/c1-7(6-10)12(9(11)13)8-4-2-3-5-8/h7-8H,2-5H2,1H3,(H2,11,13)
InChIKeySFOVZGNAZATBHT-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.22
Rot. Bonds2

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

1-(1-cyanoethyl)-1-cyclopentylurea (PubChem CID 21444335) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(1-cyanoethyl)-1-cyclopentylurea.

Molecular Properties

Compound Name1-(1-cyanoethyl)-1-cyclopentylurea
PubChem CID21444335
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(1-cyanoethyl)-1-cyclopentylurea
SMILESCC(C#N)N(C(N)=O)C1CCCC1
InChIInChI=1S/C9H15N3O/c1-7(6-10)12(9(11)13)8-4-2-3-5-8/h7-8H,2-5H2,1H3,(H2,11,13)
InChIKeySFOVZGNAZATBHT-UHFFFAOYSA-N
XLogP1.22
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanoethyl)-1-cyclopentylurea?
The IUPAC name of 1-(1-cyanoethyl)-1-cyclopentylurea (CID 21444335) is 1-(1-cyanoethyl)-1-cyclopentylurea.
What is the SMILES notation for 1-(1-cyanoethyl)-1-cyclopentylurea?
The canonical SMILES for 1-(1-cyanoethyl)-1-cyclopentylurea is CC(C#N)N(C(N)=O)C1CCCC1.
What is the InChIKey of 1-(1-cyanoethyl)-1-cyclopentylurea?
The InChIKey is SFOVZGNAZATBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(6-10)12(9(11)13)8-4-2-3-5-8/h7-8H,2-5H2,1H3,(H2,11,13).
What are the key properties of 1-(1-cyanoethyl)-1-cyclopentylurea?
1-(1-cyanoethyl)-1-cyclopentylurea has a molecular weight of 181.24 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanoethyl)-1-cyclopentylurea is sourced from PubChem (CID 21444335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).