(2-amino-1-methylcyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

C12H19NO2 — CID 102648480

IUPAC(2-amino-1-methylcyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESCC1(C(=O)C2=CCCCO2)CCCC1N
InChIInChI=1S/C12H19NO2/c1-12(7-4-6-10(12)13)11(14)9-5-2-3-8-15-9/h5,10H,2-4,6-8,13H2,1H3
InChIKeyICOFBGIXQYCNBK-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.77
Rot. Bonds2

About (2-amino-1-methylcyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

(2-amino-1-methylcyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102648480) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (2-amino-1-methylcyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name(2-amino-1-methylcyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102648480
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(2-amino-1-methylcyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESCC1(C(=O)C2=CCCCO2)CCCC1N
InChIInChI=1S/C12H19NO2/c1-12(7-4-6-10(12)13)11(14)9-5-2-3-8-15-9/h5,10H,2-4,6-8,13H2,1H3
InChIKeyICOFBGIXQYCNBK-UHFFFAOYSA-N
XLogP1.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 (2-amino-1-methylcyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of (2-amino-1-methylcyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102648480) is (2-amino-1-methylcyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for (2-amino-1-methylcyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for (2-amino-1-methylcyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is CC1(C(=O)C2=CCCCO2)CCCC1N.
What is the InChIKey of (2-amino-1-methylcyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is ICOFBGIXQYCNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(7-4-6-10(12)13)11(14)9-5-2-3-8-15-9/h5,10H,2-4,6-8,13H2,1H3.
What are the key properties of (2-amino-1-methylcyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
(2-amino-1-methylcyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 209.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-methylcyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102648480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).