(2-aminocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

C11H17NO2 — CID 102648384

IUPAC(2-aminocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESNC1CCCC1C(=O)C1=CCCCO1
InChIInChI=1S/C11H17NO2/c12-9-5-3-4-8(9)11(13)10-6-1-2-7-14-10/h6,8-9H,1-5,7,12H2
InChIKeyBXSIXLPSOOFGSR-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.38
Rot. Bonds2

About (2-aminocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

(2-aminocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102648384) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (2-aminocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name(2-aminocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102648384
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(2-aminocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESNC1CCCC1C(=O)C1=CCCCO1
InChIInChI=1S/C11H17NO2/c12-9-5-3-4-8(9)11(13)10-6-1-2-7-14-10/h6,8-9H,1-5,7,12H2
InChIKeyBXSIXLPSOOFGSR-UHFFFAOYSA-N
XLogP1.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of (2-aminocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102648384) is (2-aminocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for (2-aminocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for (2-aminocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is NC1CCCC1C(=O)C1=CCCCO1.
What is the InChIKey of (2-aminocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is BXSIXLPSOOFGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c12-9-5-3-4-8(9)11(13)10-6-1-2-7-14-10/h6,8-9H,1-5,7,12H2.
What are the key properties of (2-aminocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
(2-aminocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 195.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102648384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).