[1-(aminomethyl)cyclopentyl]-(3,4-dihydro-2H-pyran-6-yl)methanone

C12H19NO2 — CID 102648456

IUPAC[1-(aminomethyl)cyclopentyl]-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESNCC1(C(=O)C2=CCCCO2)CCCC1
InChIInChI=1S/C12H19NO2/c13-9-12(6-2-3-7-12)11(14)10-5-1-4-8-15-10/h5H,1-4,6-9,13H2
InChIKeyWVUUPLALWXXJKS-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.77
Rot. Bonds3

About [1-(aminomethyl)cyclopentyl]-(3,4-dihydro-2H-pyran-6-yl)methanone

[1-(aminomethyl)cyclopentyl]-(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102648456) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102648456
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name[1-(aminomethyl)cyclopentyl]-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESNCC1(C(=O)C2=CCCCO2)CCCC1
InChIInChI=1S/C12H19NO2/c13-9-12(6-2-3-7-12)11(14)10-5-1-4-8-15-10/h5H,1-4,6-9,13H2
InChIKeyWVUUPLALWXXJKS-UHFFFAOYSA-N
XLogP1.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]-(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102648456) is [1-(aminomethyl)cyclopentyl]-(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-(3,4-dihydro-2H-pyran-6-yl)methanone is NCC1(C(=O)C2=CCCCO2)CCCC1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is WVUUPLALWXXJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c13-9-12(6-2-3-7-12)11(14)10-5-1-4-8-15-10/h5H,1-4,6-9,13H2.
What are the key properties of [1-(aminomethyl)cyclopentyl]-(3,4-dihydro-2H-pyran-6-yl)methanone?
[1-(aminomethyl)cyclopentyl]-(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 209.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102648456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).