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

C9H17N3O2 — CID 131223521

IUPAC1-[(5-oxopyrrolidin-3-yl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC1CNC(=O)C1
InChIInChI=1S/C9H17N3O2/c1-6(2)12-9(14)11-5-7-3-8(13)10-4-7/h6-7H,3-5H2,1-2H3,(H,10,13)(H2,11,12,14)
InChIKeyDYHCRQNNSUIQAI-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.17
Rot. Bonds3

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

1-[(5-oxopyrrolidin-3-yl)methyl]-3-propan-2-ylurea (PubChem CID 131223521) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-[(5-oxopyrrolidin-3-yl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(5-oxopyrrolidin-3-yl)methyl]-3-propan-2-ylurea
PubChem CID131223521
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name1-[(5-oxopyrrolidin-3-yl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC1CNC(=O)C1
InChIInChI=1S/C9H17N3O2/c1-6(2)12-9(14)11-5-7-3-8(13)10-4-7/h6-7H,3-5H2,1-2H3,(H,10,13)(H2,11,12,14)
InChIKeyDYHCRQNNSUIQAI-UHFFFAOYSA-N
XLogP-0.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-isopropyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3243347
4-(Aminomethyl)-1-(propan-2-yl)pyrrolidin-2-one
CID 44827665
1-Ethyl-4-[(methylamino)methyl]pyrrolidin-2-one
CID 45791026
4-(Aminomethyl)-1-(propan-2-yl)pyrrolidin-2-one hydrochloride
CID 45595791
1-(1-Cyclopropanecarbonylpyrrolidin-3-YL)-3-ethylurea
CID 53016474
1-(1-Cyclobutanecarbonylpyrrolidin-3-YL)-3-ethylurea
CID 53016475
1-(1-Cyclobutanecarbonylpyrrolidin-3-YL)-3-(propan-2-YL)urea
CID 53016496
3-Tert-butyl-1-(1-cyclopropanecarbonylpyrrolidin-3-YL)urea
CID 53016518
3-Butyl-5-(1-methylethyl)-2,4-imidazolidinedione
CID 19078762
5-oxo-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide
CID 53505206
1-(2,2-Dimethylpropyl)-3-[3-(2,5-dioxopyrrolidin-1-yl)propyl]urea
CID 56781493
4-(butan-2-ylcarbamoylamino)-N,N-diethylbutanamide
CID 56813964

Frequently Asked Questions

What is the IUPAC name of 1-[(5-oxopyrrolidin-3-yl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(5-oxopyrrolidin-3-yl)methyl]-3-propan-2-ylurea (CID 131223521) is 1-[(5-oxopyrrolidin-3-yl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(5-oxopyrrolidin-3-yl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(5-oxopyrrolidin-3-yl)methyl]-3-propan-2-ylurea is CC(C)NC(=O)NCC1CNC(=O)C1.
What is the InChIKey of 1-[(5-oxopyrrolidin-3-yl)methyl]-3-propan-2-ylurea?
The InChIKey is DYHCRQNNSUIQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6(2)12-9(14)11-5-7-3-8(13)10-4-7/h6-7H,3-5H2,1-2H3,(H,10,13)(H2,11,12,14).
What are the key properties of 1-[(5-oxopyrrolidin-3-yl)methyl]-3-propan-2-ylurea?
1-[(5-oxopyrrolidin-3-yl)methyl]-3-propan-2-ylurea has a molecular weight of 199.25 g/mol, XLogP of -0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-oxopyrrolidin-3-yl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 131223521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).