[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]urea

C8H13N3O2 — CID 130608897

IUPAC[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1CC=CCC1
InChIInChI=1S/C8H13N3O2/c9-8(13)10-6-7(12)11-4-2-1-3-5-11/h1-2H,3-6H2,(H3,9,10,13)
InChIKeyVPSHMSUPEQUCSD-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.56
Rot. Bonds2

About [2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]urea

[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]urea (PubChem CID 130608897) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is [2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]urea
PubChem CID130608897
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1CC=CCC1
InChIInChI=1S/C8H13N3O2/c9-8(13)10-6-7(12)11-4-2-1-3-5-11/h1-2H,3-6H2,(H3,9,10,13)
InChIKeyVPSHMSUPEQUCSD-UHFFFAOYSA-N
XLogP-0.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 114409026
5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 114409070
2-bromo-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 114408452
[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea
CID 127518835
[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]urea
CID 126989063
N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 131224020
6-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one
CID 114408800
3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpentan-1-one
CID 114408795
hydroxymethyl 3,6-dihydro-2H-pyridine-1-carboxylate
CID 154349035
N-propyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 13141783
[2-[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]urea
CID 131915772
2-cyclobutyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 130991866

Frequently Asked Questions

What is the IUPAC name of [2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]urea?
The IUPAC name of [2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]urea (CID 130608897) is [2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]urea.
What is the SMILES notation for [2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]urea?
The canonical SMILES for [2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]urea is NC(=O)NCC(=O)N1CC=CCC1.
What is the InChIKey of [2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]urea?
The InChIKey is VPSHMSUPEQUCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c9-8(13)10-6-7(12)11-4-2-1-3-5-11/h1-2H,3-6H2,(H3,9,10,13).
What are the key properties of [2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]urea?
[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]urea has a molecular weight of 183.21 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]urea is sourced from PubChem (CID 130608897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).