1-(2-aminocyclopentyl)-3-phenylurea

C12H17N3O — CID 63251660

IUPAC1-(2-aminocyclopentyl)-3-phenylurea
SMILESNC1CCCC1NC(=O)Nc1ccccc1
InChIInChI=1S/C12H17N3O/c13-10-7-4-8-11(10)15-12(16)14-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,13H2,(H2,14,15,16)
InChIKeyWEBMYWVBKGAJLE-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.69
Rot. Bonds2

About 1-(2-aminocyclopentyl)-3-phenylurea

1-(2-aminocyclopentyl)-3-phenylurea (PubChem CID 63251660) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(2-aminocyclopentyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-aminocyclopentyl)-3-phenylurea
PubChem CID63251660
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(2-aminocyclopentyl)-3-phenylurea
SMILESNC1CCCC1NC(=O)Nc1ccccc1
InChIInChI=1S/C12H17N3O/c13-10-7-4-8-11(10)15-12(16)14-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,13H2,(H2,14,15,16)
InChIKeyWEBMYWVBKGAJLE-UHFFFAOYSA-N
XLogP1.69
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea
CID 55150019
1-(2-aminocyclopentyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 63251608
1-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea
CID 93452802
1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea
CID 107654072
1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea
CID 63251747
1-[(1R,2R)-2-aminocyclohexyl]-3-(3,4-dichlorophenyl)urea
CID 93452783
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea
CID 63258521
2-[[[(1R,2R)-2-aminocyclohexyl]amino]-anilinomethylidene]propanedinitrile
CID 85471030
1-[(3R,4R)-1,1-dioxo-4-(phenylcarbamoylamino)thiolan-3-yl]-3-phenylurea
CID 7721133
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclopentyl)-3-phenylurea?
The IUPAC name of 1-(2-aminocyclopentyl)-3-phenylurea (CID 63251660) is 1-(2-aminocyclopentyl)-3-phenylurea.
What is the SMILES notation for 1-(2-aminocyclopentyl)-3-phenylurea?
The canonical SMILES for 1-(2-aminocyclopentyl)-3-phenylurea is NC1CCCC1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(2-aminocyclopentyl)-3-phenylurea?
The InChIKey is WEBMYWVBKGAJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-10-7-4-8-11(10)15-12(16)14-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,13H2,(H2,14,15,16).
What are the key properties of 1-(2-aminocyclopentyl)-3-phenylurea?
1-(2-aminocyclopentyl)-3-phenylurea has a molecular weight of 219.29 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclopentyl)-3-phenylurea is sourced from PubChem (CID 63251660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).