2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethylurea

C9H17N3O2 — CID 83109324

IUPAC2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethylurea
SMILESNC(=O)NCCNCC1CCC=CO1
InChIInChI=1S/C9H17N3O2/c10-9(13)12-5-4-11-7-8-3-1-2-6-14-8/h2,6,8,11H,1,3-5,7H2,(H3,10,12,13)
InChIKeyGAMGVRQCUXPIKN-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.06
Rot. Bonds5

About 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethylurea

2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethylurea (PubChem CID 83109324) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethylurea.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethylurea
PubChem CID83109324
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethylurea
SMILESNC(=O)NCCNCC1CCC=CO1
InChIInChI=1S/C9H17N3O2/c10-9(13)12-5-4-11-7-8-3-1-2-6-14-8/h2,6,8,11H,1,3-5,7H2,(H3,10,12,13)
InChIKeyGAMGVRQCUXPIKN-UHFFFAOYSA-N
XLogP-0.06
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethylurea?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethylurea (CID 83109324) is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethylurea.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethylurea?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethylurea is NC(=O)NCCNCC1CCC=CO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethylurea?
The InChIKey is GAMGVRQCUXPIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c10-9(13)12-5-4-11-7-8-3-1-2-6-14-8/h2,6,8,11H,1,3-5,7H2,(H3,10,12,13).
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethylurea?
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethylurea has a molecular weight of 199.25 g/mol, XLogP of -0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethylurea is sourced from PubChem (CID 83109324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).