1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea

C15H27N3O2 — CID 110749319

IUPAC1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea
SMILESCC(C)(C)N1CC(NC(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C15H27N3O2/c1-15(2,3)18-10-12(9-13(18)19)17-14(20)16-11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H2,16,17,20)
InChIKeyFFUCCBNRKHBGKZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.02
Rot. Bonds2

About 1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea

1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea (PubChem CID 110749319) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea
PubChem CID110749319
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea
SMILESCC(C)(C)N1CC(NC(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C15H27N3O2/c1-15(2,3)18-10-12(9-13(18)19)17-14(20)16-11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H2,16,17,20)
InChIKeyFFUCCBNRKHBGKZ-UHFFFAOYSA-N
XLogP2.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(2,2-dimethylspiro[3.3]heptan-6-yl)urea
CID 166343057
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(2-chloroethyl)urea
CID 108876104
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide
CID 83632195
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(cyclopropylmethylamino)acetamide
CID 119818280
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119343394
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pentanamide
CID 110736860
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
CID 108876025
2-[(1-tert-butyl-5-oxopyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid
CID 108876082
4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzenesulfonic acid
CID 108876019
methyl 4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate
CID 108876214
(2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide
CID 120638106
1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513394

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea?
The IUPAC name of 1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea (CID 110749319) is 1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea.
What is the SMILES notation for 1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea?
The canonical SMILES for 1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea is CC(C)(C)N1CC(NC(=O)NC2CCCCC2)CC1=O.
What is the InChIKey of 1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea?
The InChIKey is FFUCCBNRKHBGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-15(2,3)18-10-12(9-13(18)19)17-14(20)16-11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea?
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea has a molecular weight of 281.40 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea is sourced from PubChem (CID 110749319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).