1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea

C8H17N3O — CID 18722887

IUPAC1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea
SMILESCN1CCC(NC(=O)N(C)C)C1
InChIInChI=1S/C8H17N3O/c1-10(2)8(12)9-7-4-5-11(3)6-7/h7H,4-6H2,1-3H3,(H,9,12)
InChIKeyBFXWZBVPPAEYLI-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.04
Rot. Bonds1

About 1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea

1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea (PubChem CID 18722887) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea
PubChem CID18722887
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea
SMILESCN1CCC(NC(=O)N(C)C)C1
InChIInChI=1S/C8H17N3O/c1-10(2)8(12)9-7-4-5-11(3)6-7/h7H,4-6H2,1-3H3,(H,9,12)
InChIKeyBFXWZBVPPAEYLI-UHFFFAOYSA-N
XLogP-0.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylcarbamoylamino)pyrrolidine-1-carboxamide
CID 131187067
1,1-dimethyl-3-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]urea
CID 167933678
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555
2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 58679843
2-[tert-butyl-[(1-methylpyrrolidin-3-yl)carbamoyl]amino]acetic acid
CID 79257255
(2R)-2-hydroxy-N-(1-methylpyrrolidin-3-yl)propanamide
CID 130918497
N,N-dimethyl-2-[(1-methylpyrrolidin-3-yl)amino]acetamide
CID 61462384
ethane;methoxymethane;N-(1-methylpyrrolidin-3-yl)acetamide
CID 169257856
2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 121226101
3-[(1-methylpyrrolidin-3-yl)amino]-2,3-dioxopropanoic acid
CID 131203416
N,N-dimethyl-2-[(1-methylpyrrolidin-3-yl)amino]propanamide
CID 61462353
tert-butyl (3S)-3-(dimethylcarbamoylamino)pyrrolidine-1-carboxylate
CID 129379096

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea (CID 18722887) is 1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea is CN1CCC(NC(=O)N(C)C)C1.
What is the InChIKey of 1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea?
The InChIKey is BFXWZBVPPAEYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-10(2)8(12)9-7-4-5-11(3)6-7/h7H,4-6H2,1-3H3,(H,9,12).
What are the key properties of 1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea?
1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea has a molecular weight of 171.24 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea is sourced from PubChem (CID 18722887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).