5-amino-3a-(naphthalen-2-ylmethyl)-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one

C18H19NO2 — CID 70158833

IUPAC5-amino-3a-(naphthalen-2-ylmethyl)-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESNC1CC2COC(=O)C2(Cc2ccc3ccccc3c2)C1
InChIInChI=1S/C18H19NO2/c19-16-8-15-11-21-17(20)18(15,10-16)9-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,15-16H,8-11,19H2
InChIKeyDSKCLEIEDADFDN-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.66
Rot. Bonds2

About 5-amino-3a-(naphthalen-2-ylmethyl)-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one

5-amino-3a-(naphthalen-2-ylmethyl)-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one (PubChem CID 70158833) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is 5-amino-3a-(naphthalen-2-ylmethyl)-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one.

Molecular Properties

Compound Name5-amino-3a-(naphthalen-2-ylmethyl)-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
PubChem CID70158833
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC Name5-amino-3a-(naphthalen-2-ylmethyl)-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESNC1CC2COC(=O)C2(Cc2ccc3ccccc3c2)C1
InChIInChI=1S/C18H19NO2/c19-16-8-15-11-21-17(20)18(15,10-16)9-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,15-16H,8-11,19H2
InChIKeyDSKCLEIEDADFDN-UHFFFAOYSA-N
XLogP2.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3a-(naphthalen-2-ylmethyl)-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The IUPAC name of 5-amino-3a-(naphthalen-2-ylmethyl)-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one (CID 70158833) is 5-amino-3a-(naphthalen-2-ylmethyl)-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one.
What is the SMILES notation for 5-amino-3a-(naphthalen-2-ylmethyl)-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The canonical SMILES for 5-amino-3a-(naphthalen-2-ylmethyl)-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one is NC1CC2COC(=O)C2(Cc2ccc3ccccc3c2)C1.
What is the InChIKey of 5-amino-3a-(naphthalen-2-ylmethyl)-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The InChIKey is DSKCLEIEDADFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c19-16-8-15-11-21-17(20)18(15,10-16)9-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,15-16H,8-11,19H2.
What are the key properties of 5-amino-3a-(naphthalen-2-ylmethyl)-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
5-amino-3a-(naphthalen-2-ylmethyl)-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one has a molecular weight of 281.35 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3a-(naphthalen-2-ylmethyl)-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one is sourced from PubChem (CID 70158833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).