1-(1-acetylpyrrolidin-3-yl)-1,3-dimethylurea

C9H17N3O2 — CID 58585070

IUPAC1-(1-acetylpyrrolidin-3-yl)-1,3-dimethylurea
SMILESCNC(=O)N(C)C1CCN(C(C)=O)C1
InChIInChI=1S/C9H17N3O2/c1-7(13)12-5-4-8(6-12)11(3)9(14)10-2/h8H,4-6H2,1-3H3,(H,10,14)
InChIKeyPEZNUFMBVLWNJC-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.12
Rot. Bonds1

About 1-(1-acetylpyrrolidin-3-yl)-1,3-dimethylurea

1-(1-acetylpyrrolidin-3-yl)-1,3-dimethylurea (PubChem CID 58585070) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(1-acetylpyrrolidin-3-yl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-(1-acetylpyrrolidin-3-yl)-1,3-dimethylurea
PubChem CID58585070
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name1-(1-acetylpyrrolidin-3-yl)-1,3-dimethylurea
SMILESCNC(=O)N(C)C1CCN(C(C)=O)C1
InChIInChI=1S/C9H17N3O2/c1-7(13)12-5-4-8(6-12)11(3)9(14)10-2/h8H,4-6H2,1-3H3,(H,10,14)
InChIKeyPEZNUFMBVLWNJC-UHFFFAOYSA-N
XLogP-0.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-N-ethylpyrrolidine-1-carboxamide
CID 68378697
Hydantoin, 3-(3-(dimethylamino)propyl)-, hydrochloride
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CID 79154183
N-[1-(Pyrrolidine-1-carbonyl)-piperidin-4-yl]-acetamide
CID 651282
3-(N-Acetyl-N-ethylamino)pyrrolidine
CID 2756274
1-Acetyl-3-ethylaminopyrrolidine
CID 45934254
1-(1-Acetylpiperidin-4-yl)imidazolidin-2-one
CID 61061921
1-Cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 47018267
1-Methyl-1-(1-methylpyrrolidin-3-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 172435645
3-Butyl-5-methylimidazolidine-2,4-dione
CID 335477
3-[2-(Dimethylamino)ethyl]-5-methylimidazolidin-4-one
CID 83250404
3-(Propan-2-yl)-1-(pyrrolidin-3-yl)urea hydrochloride
CID 170911671

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpyrrolidin-3-yl)-1,3-dimethylurea?
The IUPAC name of 1-(1-acetylpyrrolidin-3-yl)-1,3-dimethylurea (CID 58585070) is 1-(1-acetylpyrrolidin-3-yl)-1,3-dimethylurea.
What is the SMILES notation for 1-(1-acetylpyrrolidin-3-yl)-1,3-dimethylurea?
The canonical SMILES for 1-(1-acetylpyrrolidin-3-yl)-1,3-dimethylurea is CNC(=O)N(C)C1CCN(C(C)=O)C1.
What is the InChIKey of 1-(1-acetylpyrrolidin-3-yl)-1,3-dimethylurea?
The InChIKey is PEZNUFMBVLWNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7(13)12-5-4-8(6-12)11(3)9(14)10-2/h8H,4-6H2,1-3H3,(H,10,14).
What are the key properties of 1-(1-acetylpyrrolidin-3-yl)-1,3-dimethylurea?
1-(1-acetylpyrrolidin-3-yl)-1,3-dimethylurea has a molecular weight of 199.25 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpyrrolidin-3-yl)-1,3-dimethylurea is sourced from PubChem (CID 58585070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).