1-[1-(2-cyanoazetidin-1-yl)ethyl]-3-cyclopropylurea

C10H16N4O — CID 163550005

IUPAC1-[1-(2-cyanoazetidin-1-yl)ethyl]-3-cyclopropylurea
SMILESCC(NC(=O)NC1CC1)N1CCC1C#N
InChIInChI=1S/C10H16N4O/c1-7(14-5-4-9(14)6-11)12-10(15)13-8-2-3-8/h7-9H,2-5H2,1H3,(H2,12,13,15)
InChIKeyFIHAGYWKWVSGNU-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.39
Rot. Bonds3

About 1-[1-(2-cyanoazetidin-1-yl)ethyl]-3-cyclopropylurea

1-[1-(2-cyanoazetidin-1-yl)ethyl]-3-cyclopropylurea (PubChem CID 163550005) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[1-(2-cyanoazetidin-1-yl)ethyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[1-(2-cyanoazetidin-1-yl)ethyl]-3-cyclopropylurea
PubChem CID163550005
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-[1-(2-cyanoazetidin-1-yl)ethyl]-3-cyclopropylurea
SMILESCC(NC(=O)NC1CC1)N1CCC1C#N
InChIInChI=1S/C10H16N4O/c1-7(14-5-4-9(14)6-11)12-10(15)13-8-2-3-8/h7-9H,2-5H2,1H3,(H2,12,13,15)
InChIKeyFIHAGYWKWVSGNU-UHFFFAOYSA-N
XLogP0.39
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyano-N-methylazetidine-1-carboxamide
CID 122651314
2-(cyanomethyl)-N-cyclopropylazetidine-1-carboxamide
CID 178181137
CID 178959062
CID 178959062
3-Butyl-1-(2-cyanoethyl)-1-cyclopropylurea
CID 60969651
1-(2-Cyanoethyl)-1-cyclopropyl-3-propylurea
CID 60969652
1-(2-Cyanoethyl)-1-cyclopropyl-3-propan-2-ylurea
CID 60970248
1-(2-Cyanoethyl)-3-cyclopropyl-1-propan-2-ylurea
CID 62698921
1-(2-Cyanoethyl)-3-cyclobutyl-1-cyclopropylurea
CID 116654955
N-cyclopropyl-2-methylazetidine-1-carboxamide
CID 130635146

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyanoazetidin-1-yl)ethyl]-3-cyclopropylurea?
The IUPAC name of 1-[1-(2-cyanoazetidin-1-yl)ethyl]-3-cyclopropylurea (CID 163550005) is 1-[1-(2-cyanoazetidin-1-yl)ethyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[1-(2-cyanoazetidin-1-yl)ethyl]-3-cyclopropylurea?
The canonical SMILES for 1-[1-(2-cyanoazetidin-1-yl)ethyl]-3-cyclopropylurea is CC(NC(=O)NC1CC1)N1CCC1C#N.
What is the InChIKey of 1-[1-(2-cyanoazetidin-1-yl)ethyl]-3-cyclopropylurea?
The InChIKey is FIHAGYWKWVSGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7(14-5-4-9(14)6-11)12-10(15)13-8-2-3-8/h7-9H,2-5H2,1H3,(H2,12,13,15).
What are the key properties of 1-[1-(2-cyanoazetidin-1-yl)ethyl]-3-cyclopropylurea?
1-[1-(2-cyanoazetidin-1-yl)ethyl]-3-cyclopropylurea has a molecular weight of 208.26 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyanoazetidin-1-yl)ethyl]-3-cyclopropylurea is sourced from PubChem (CID 163550005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).