1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methoxyurea

C8H14N2O3 — CID 130684409

IUPAC1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methoxyurea
SMILESCONC(=O)NCC1CCC=CO1
InChIInChI=1S/C8H14N2O3/c1-12-10-8(11)9-6-7-4-2-3-5-13-7/h3,5,7H,2,4,6H2,1H3,(H2,9,10,11)
InChIKeyUMSDNYQDGQFFPZ-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.54
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methoxyurea

1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methoxyurea (PubChem CID 130684409) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methoxyurea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methoxyurea
PubChem CID130684409
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methoxyurea
SMILESCONC(=O)NCC1CCC=CO1
InChIInChI=1S/C8H14N2O3/c1-12-10-8(11)9-6-7-4-2-3-5-13-7/h3,5,7H,2,4,6H2,1H3,(H2,9,10,11)
InChIKeyUMSDNYQDGQFFPZ-UHFFFAOYSA-N
XLogP0.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(R)-1-(3,4-Dihydro-2H-pyran-2-yl)methyl]-3-(2-dimethylamino-ethyl)urea
CID 46185757
1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea
CID 68735262
1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea;ethane
CID 143819458
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethylurea
CID 83109324
3-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-1,1-dimethylurea
CID 83116673
3,4-dihydro-2H-pyran-2-ylmethylurea
CID 130625744
1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylurea
CID 130657465
3-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dimethylurea
CID 130693357
Methyl [(3,4-dihydro-2H-pyran-2-yl)methyl]carbamate
CID 130742033
N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]acetamide
CID 131098121
1-cyclopropyl-3-(3,4-dihydro-2H-pyran-2-ylmethyl)urea
CID 131162498

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methoxyurea?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methoxyurea (CID 130684409) is 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methoxyurea.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methoxyurea?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methoxyurea is CONC(=O)NCC1CCC=CO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methoxyurea?
The InChIKey is UMSDNYQDGQFFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-12-10-8(11)9-6-7-4-2-3-5-13-7/h3,5,7H,2,4,6H2,1H3,(H2,9,10,11).
What are the key properties of 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methoxyurea?
1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methoxyurea has a molecular weight of 186.21 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methoxyurea is sourced from PubChem (CID 130684409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).