1-(1-methyl-5-oxopyrrolidin-3-yl)-3-pentylurea

C11H21N3O2 — CID 56794755

IUPAC1-(1-methyl-5-oxopyrrolidin-3-yl)-3-pentylurea
SMILESCCCCCNC(=O)NC1CC(=O)N(C)C1
InChIInChI=1S/C11H21N3O2/c1-3-4-5-6-12-11(16)13-9-7-10(15)14(2)8-9/h9H,3-8H2,1-2H3,(H2,12,13,16)
InChIKeyPBUJHZRGHGWIOP-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.71
Rot. Bonds5

About 1-(1-methyl-5-oxopyrrolidin-3-yl)-3-pentylurea

1-(1-methyl-5-oxopyrrolidin-3-yl)-3-pentylurea (PubChem CID 56794755) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(1-methyl-5-oxopyrrolidin-3-yl)-3-pentylurea.

Molecular Properties

Compound Name1-(1-methyl-5-oxopyrrolidin-3-yl)-3-pentylurea
PubChem CID56794755
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-(1-methyl-5-oxopyrrolidin-3-yl)-3-pentylurea
SMILESCCCCCNC(=O)NC1CC(=O)N(C)C1
InChIInChI=1S/C11H21N3O2/c1-3-4-5-6-12-11(16)13-9-7-10(15)14(2)8-9/h9H,3-8H2,1-2H3,(H2,12,13,16)
InChIKeyPBUJHZRGHGWIOP-UHFFFAOYSA-N
XLogP0.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876777
1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 94796717
1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-pentylurea
CID 7543385
1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea
CID 25281458
1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513301
5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 64667845
1-hexyl-3-[4-(octylcarbamoylamino)cyclohexyl]urea
CID 10200800
1-[(3-methyloxetan-3-yl)methyl]-3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]urea
CID 138049629
4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 64670248
1-butyl-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969554
2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide
CID 60616692
1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 95969340

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-5-oxopyrrolidin-3-yl)-3-pentylurea?
The IUPAC name of 1-(1-methyl-5-oxopyrrolidin-3-yl)-3-pentylurea (CID 56794755) is 1-(1-methyl-5-oxopyrrolidin-3-yl)-3-pentylurea.
What is the SMILES notation for 1-(1-methyl-5-oxopyrrolidin-3-yl)-3-pentylurea?
The canonical SMILES for 1-(1-methyl-5-oxopyrrolidin-3-yl)-3-pentylurea is CCCCCNC(=O)NC1CC(=O)N(C)C1.
What is the InChIKey of 1-(1-methyl-5-oxopyrrolidin-3-yl)-3-pentylurea?
The InChIKey is PBUJHZRGHGWIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-4-5-6-12-11(16)13-9-7-10(15)14(2)8-9/h9H,3-8H2,1-2H3,(H2,12,13,16).
What are the key properties of 1-(1-methyl-5-oxopyrrolidin-3-yl)-3-pentylurea?
1-(1-methyl-5-oxopyrrolidin-3-yl)-3-pentylurea has a molecular weight of 227.31 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-5-oxopyrrolidin-3-yl)-3-pentylurea is sourced from PubChem (CID 56794755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).