6-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-one

C14H17NO2 — CID 13179501

IUPAC6-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C14H17NO2/c16-14-3-1-2-11-10-12(4-5-13(11)14)15-6-8-17-9-7-15/h4-5,10H,1-3,6-9H2
InChIKeySIEWSRSYXYODNE-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.04
Rot. Bonds1

About 6-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-one

6-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 13179501) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 6-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID13179501
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name6-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C14H17NO2/c16-14-3-1-2-11-10-12(4-5-13(11)14)15-6-8-17-9-7-15/h4-5,10H,1-3,6-9H2
InChIKeySIEWSRSYXYODNE-UHFFFAOYSA-N
XLogP2.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-one (CID 13179501) is 6-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(N3CCOCC3)ccc21.
What is the InChIKey of 6-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is SIEWSRSYXYODNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14-3-1-2-11-10-12(4-5-13(11)14)15-6-8-17-9-7-15/h4-5,10H,1-3,6-9H2.
What are the key properties of 6-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-one?
6-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 231.29 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 13179501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).