1-(1-cyanobutyl)-3-cyclopropylurea

C9H15N3O — CID 62698354

IUPAC1-(1-cyanobutyl)-3-cyclopropylurea
SMILESCCCC(C#N)NC(=O)NC1CC1
InChIInChI=1S/C9H15N3O/c1-2-3-8(6-10)12-9(13)11-7-4-5-7/h7-8H,2-5H2,1H3,(H2,11,12,13)
InChIKeyGDLCCQXIALKURE-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.14
Rot. Bonds4

About 1-(1-cyanobutyl)-3-cyclopropylurea

1-(1-cyanobutyl)-3-cyclopropylurea (PubChem CID 62698354) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(1-cyanobutyl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(1-cyanobutyl)-3-cyclopropylurea
PubChem CID62698354
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(1-cyanobutyl)-3-cyclopropylurea
SMILESCCCC(C#N)NC(=O)NC1CC1
InChIInChI=1S/C9H15N3O/c1-2-3-8(6-10)12-9(13)11-7-4-5-7/h7-8H,2-5H2,1H3,(H2,11,12,13)
InChIKeyGDLCCQXIALKURE-UHFFFAOYSA-N
XLogP1.14
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-2-cyanoaziridine-1-carboxamide
CID 9834058
1,3-Bis(1-cyanopropyl)urea
CID 387723
1-[(2S)-1-cyanobutan-2-yl]-3-cyclohexylurea
CID 94531259
1-(1-Cyanobutyl)-3-(2,2,2-trifluoroethyl)urea
CID 116012931
1-(1-Cyanobutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116012947
1-(2-Cyanoethyl)-3-propan-2-ylurea
CID 60971212
1-Butyl-3-cyclopropylurea
CID 84242996
1-Cyclopropyl-3-pentylurea
CID 84243985
1-Cyanopentylurea
CID 88195834
2-cyano-N-pentylaziridine-1-carboxamide
CID 88738912
1-(Cyclopropylmethyl)-3-pentan-2-ylurea
CID 90348840
1-Cyclopropyl-3-pentan-2-ylurea
CID 90348959

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanobutyl)-3-cyclopropylurea?
The IUPAC name of 1-(1-cyanobutyl)-3-cyclopropylurea (CID 62698354) is 1-(1-cyanobutyl)-3-cyclopropylurea.
What is the SMILES notation for 1-(1-cyanobutyl)-3-cyclopropylurea?
The canonical SMILES for 1-(1-cyanobutyl)-3-cyclopropylurea is CCCC(C#N)NC(=O)NC1CC1.
What is the InChIKey of 1-(1-cyanobutyl)-3-cyclopropylurea?
The InChIKey is GDLCCQXIALKURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-3-8(6-10)12-9(13)11-7-4-5-7/h7-8H,2-5H2,1H3,(H2,11,12,13).
What are the key properties of 1-(1-cyanobutyl)-3-cyclopropylurea?
1-(1-cyanobutyl)-3-cyclopropylurea has a molecular weight of 181.24 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanobutyl)-3-cyclopropylurea is sourced from PubChem (CID 62698354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).