1-(1-cyanocyclopentyl)-3-propylurea

C10H17N3O — CID 60650300

IUPAC1-(1-cyanocyclopentyl)-3-propylurea
SMILESCCCNC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C10H17N3O/c1-2-7-12-9(14)13-10(8-11)5-3-4-6-10/h2-7H2,1H3,(H2,12,13,14)
InChIKeyUBJMLKIQBSMROU-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.53
Rot. Bonds3

About 1-(1-cyanocyclopentyl)-3-propylurea

1-(1-cyanocyclopentyl)-3-propylurea (PubChem CID 60650300) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(1-cyanocyclopentyl)-3-propylurea.

Molecular Properties

Compound Name1-(1-cyanocyclopentyl)-3-propylurea
PubChem CID60650300
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(1-cyanocyclopentyl)-3-propylurea
SMILESCCCNC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C10H17N3O/c1-2-7-12-9(14)13-10(8-11)5-3-4-6-10/h2-7H2,1H3,(H2,12,13,14)
InChIKeyUBJMLKIQBSMROU-UHFFFAOYSA-N
XLogP1.53
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Cyanocyclohexyl)-3-octadecylurea
CID 101686509
1-(1-Cyanocyclopentyl)-3-(2,2,2-trifluoroethyl)urea
CID 116012932
1-Tert-butyl-3-(1-cyanocyclopentyl)urea
CID 21316841
1-(Cyclopentylmethyl)-3-methylurea
CID 57288164
1-(2-Cyanocyclopentyl)-3-methylurea
CID 57606254
1-Methyl-3-(3-methylcyclopentyl)urea
CID 68353926
1-(Cyclopentylmethyl)-3-propylurea
CID 84514497
1-(Cyclopentylmethyl)-3-propan-2-ylurea
CID 84521639
1-(Cyclopentylmethyl)-3-pentylurea
CID 108902570
1-Ethyl-3-(1-methylcyclopentyl)urea
CID 115611109
1-Methyl-3-(2-methylcyclopentyl)urea
CID 115613920
1-(1-Ethylcyclopentyl)-3-propylurea
CID 130216551

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanocyclopentyl)-3-propylurea?
The IUPAC name of 1-(1-cyanocyclopentyl)-3-propylurea (CID 60650300) is 1-(1-cyanocyclopentyl)-3-propylurea.
What is the SMILES notation for 1-(1-cyanocyclopentyl)-3-propylurea?
The canonical SMILES for 1-(1-cyanocyclopentyl)-3-propylurea is CCCNC(=O)NC1(C#N)CCCC1.
What is the InChIKey of 1-(1-cyanocyclopentyl)-3-propylurea?
The InChIKey is UBJMLKIQBSMROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-7-12-9(14)13-10(8-11)5-3-4-6-10/h2-7H2,1H3,(H2,12,13,14).
What are the key properties of 1-(1-cyanocyclopentyl)-3-propylurea?
1-(1-cyanocyclopentyl)-3-propylurea has a molecular weight of 195.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanocyclopentyl)-3-propylurea is sourced from PubChem (CID 60650300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).