2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl carbamate

C9H16N2O3 — CID 83202562

IUPAC2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl carbamate
SMILESNC(=O)OCCNCC1CCC=CO1
InChIInChI=1S/C9H16N2O3/c10-9(12)14-6-4-11-7-8-3-1-2-5-13-8/h2,5,8,11H,1,3-4,6-7H2,(H2,10,12)
InChIKeyBDELRDFGPVQXBO-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.36
Rot. Bonds5

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

2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl carbamate (PubChem CID 83202562) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl carbamate
PubChem CID83202562
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl carbamate
SMILESNC(=O)OCCNCC1CCC=CO1
InChIInChI=1S/C9H16N2O3/c10-9(12)14-6-4-11-7-8-3-1-2-5-13-8/h2,5,8,11H,1,3-4,6-7H2,(H2,10,12)
InChIKeyBDELRDFGPVQXBO-UHFFFAOYSA-N
XLogP0.36
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)ethyl carbamate?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl carbamate (CID 83202562) is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl carbamate.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl carbamate?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl carbamate is NC(=O)OCCNCC1CCC=CO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl carbamate?
The InChIKey is BDELRDFGPVQXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c10-9(12)14-6-4-11-7-8-3-1-2-5-13-8/h2,5,8,11H,1,3-4,6-7H2,(H2,10,12).
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl carbamate?
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl carbamate has a molecular weight of 200.24 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl carbamate is sourced from PubChem (CID 83202562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).