2-(cyclopentylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone

C12H19NO2 — CID 102648308

IUPAC2-(cyclopentylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESO=C(CNC1CCCC1)C1=CCCCO1
InChIInChI=1S/C12H19NO2/c14-11(12-7-3-4-8-15-12)9-13-10-5-1-2-6-10/h7,10,13H,1-6,8-9H2
InChIKeyBPESPBJBJOCNRU-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.78
Rot. Bonds4

About 2-(cyclopentylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone

2-(cyclopentylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (PubChem CID 102648308) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(cyclopentylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopentylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
PubChem CID102648308
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(cyclopentylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESO=C(CNC1CCCC1)C1=CCCCO1
InChIInChI=1S/C12H19NO2/c14-11(12-7-3-4-8-15-12)9-13-10-5-1-2-6-10/h7,10,13H,1-6,8-9H2
InChIKeyBPESPBJBJOCNRU-UHFFFAOYSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The IUPAC name of 2-(cyclopentylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (CID 102648308) is 2-(cyclopentylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.
What is the SMILES notation for 2-(cyclopentylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The canonical SMILES for 2-(cyclopentylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone is O=C(CNC1CCCC1)C1=CCCCO1.
What is the InChIKey of 2-(cyclopentylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The InChIKey is BPESPBJBJOCNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-11(12-7-3-4-8-15-12)9-13-10-5-1-2-6-10/h7,10,13H,1-6,8-9H2.
What are the key properties of 2-(cyclopentylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
2-(cyclopentylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone has a molecular weight of 209.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone is sourced from PubChem (CID 102648308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).