1-(2,2-dimethylpropyl)-3-(1H-pyrrol-3-ylmethyl)urea

C11H19N3O — CID 110775133

IUPAC1-(2,2-dimethylpropyl)-3-(1H-pyrrol-3-ylmethyl)urea
SMILESCC(C)(C)CNC(=O)NCc1cc[nH]c1
InChIInChI=1S/C11H19N3O/c1-11(2,3)8-14-10(15)13-7-9-4-5-12-6-9/h4-6,12H,7-8H2,1-3H3,(H2,13,14,15)
InChIKeyZUSIMAZQUKUVIZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.86
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-3-(1H-pyrrol-3-ylmethyl)urea

1-(2,2-dimethylpropyl)-3-(1H-pyrrol-3-ylmethyl)urea (PubChem CID 110775133) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-(1H-pyrrol-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-(1H-pyrrol-3-ylmethyl)urea
PubChem CID110775133
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(2,2-dimethylpropyl)-3-(1H-pyrrol-3-ylmethyl)urea
SMILESCC(C)(C)CNC(=O)NCc1cc[nH]c1
InChIInChI=1S/C11H19N3O/c1-11(2,3)8-14-10(15)13-7-9-4-5-12-6-9/h4-6,12H,7-8H2,1-3H3,(H2,13,14,15)
InChIKeyZUSIMAZQUKUVIZ-UHFFFAOYSA-N
XLogP1.86
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384571
2-amino-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 83530042
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
(2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384847
2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 114181967
3-amino-5,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)hexanamide
CID 106384758
2-methyl-1-(1H-pyrrol-3-ylmethylamino)propan-2-ol
CID 66409643
2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110782649
3-methyl-N-(1H-pyrrol-3-ylmethyl)but-2-enamide
CID 106385306
(E)-2,3-dimethyl-4-oxo-4-(1H-pyrrol-3-ylmethylamino)but-2-enoic acid
CID 106384463
cis-(1R,3S)-2,2-dimethyl-3-(1H-pyrrol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106384464
N-(1H-pyrrol-3-ylmethyl)but-3-ynamide
CID 106385791

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-(1H-pyrrol-3-ylmethyl)urea?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-(1H-pyrrol-3-ylmethyl)urea (CID 110775133) is 1-(2,2-dimethylpropyl)-3-(1H-pyrrol-3-ylmethyl)urea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-(1H-pyrrol-3-ylmethyl)urea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-(1H-pyrrol-3-ylmethyl)urea is CC(C)(C)CNC(=O)NCc1cc[nH]c1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-(1H-pyrrol-3-ylmethyl)urea?
The InChIKey is ZUSIMAZQUKUVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,3)8-14-10(15)13-7-9-4-5-12-6-9/h4-6,12H,7-8H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(2,2-dimethylpropyl)-3-(1H-pyrrol-3-ylmethyl)urea?
1-(2,2-dimethylpropyl)-3-(1H-pyrrol-3-ylmethyl)urea has a molecular weight of 209.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-(1H-pyrrol-3-ylmethyl)urea is sourced from PubChem (CID 110775133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).