1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea

C9H17N3O2 — CID 95969340

IUPAC1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N[C@@H]1CC(=O)N(C)C1
InChIInChI=1S/C9H17N3O2/c1-6(2)10-9(14)11-7-4-8(13)12(3)5-7/h6-7H,4-5H2,1-3H3,(H2,10,11,14)/t7-/m1/s1
InChIKeyOSWPAWIQDDWILG-SSDOTTSWSA-N
MW199.25 g/mol
LogP-0.08
Rot. Bonds2

About 1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea

1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea (PubChem CID 95969340) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
PubChem CID95969340
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N[C@@H]1CC(=O)N(C)C1
InChIInChI=1S/C9H17N3O2/c1-6(2)10-9(14)11-7-4-8(13)12(3)5-7/h6-7H,4-5H2,1-3H3,(H2,10,11,14)/t7-/m1/s1
InChIKeyOSWPAWIQDDWILG-SSDOTTSWSA-N
XLogP-0.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methyl-5-oxopyrrolidin-3-yl)-3-propan-2-ylurea
CID 71789164
3-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide
CID 110736478
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 60616745
1-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 43969395
2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide
CID 60616692
3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide
CID 130585425
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 7543094
1-(1-methyl-5-oxopyrrolidin-3-yl)-3-pentylurea
CID 56794755
2-amino-3-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)pentanamide
CID 119758230
tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate
CID 45092180
1-[(4S,5R)-1,3-dimethyl-2-oxo-5-(propan-2-ylcarbamoylamino)imidazolidin-4-yl]-3-propan-2-ylurea
CID 7364153
1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
CID 59568945

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea (CID 95969340) is 1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea is CC(C)NC(=O)N[C@@H]1CC(=O)N(C)C1.
What is the InChIKey of 1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea?
The InChIKey is OSWPAWIQDDWILG-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6(2)10-9(14)11-7-4-8(13)12(3)5-7/h6-7H,4-5H2,1-3H3,(H2,10,11,14)/t7-/m1/s1.
What are the key properties of 1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea?
1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea has a molecular weight of 199.25 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea is sourced from PubChem (CID 95969340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).