2-cyclopentyloxy-4-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol

C17H21NO4 — CID 135869570

IUPAC2-cyclopentyloxy-4-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol
SMILESOc1ccc(C2=NO[C@]3(CCOC3)C2)cc1OC1CCCC1
InChIInChI=1S/C17H21NO4/c19-15-6-5-12(9-16(15)21-13-3-1-2-4-13)14-10-17(22-18-14)7-8-20-11-17/h5-6,9,13,19H,1-4,7-8,10-11H2/t17-/m1/s1
InChIKeyNNCQRRYTAYEFDO-QGZVFWFLSA-N
MW303.36 g/mol
LogP3.00
Rot. Bonds3

About 2-cyclopentyloxy-4-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol

2-cyclopentyloxy-4-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol (PubChem CID 135869570) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-cyclopentyloxy-4-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol.

Molecular Properties

Compound Name2-cyclopentyloxy-4-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol
PubChem CID135869570
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name2-cyclopentyloxy-4-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol
SMILESOc1ccc(C2=NO[C@]3(CCOC3)C2)cc1OC1CCCC1
InChIInChI=1S/C17H21NO4/c19-15-6-5-12(9-16(15)21-13-3-1-2-4-13)14-10-17(22-18-14)7-8-20-11-17/h5-6,9,13,19H,1-4,7-8,10-11H2/t17-/m1/s1
InChIKeyNNCQRRYTAYEFDO-QGZVFWFLSA-N
XLogP3.00
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-4-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol?
The IUPAC name of 2-cyclopentyloxy-4-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol (CID 135869570) is 2-cyclopentyloxy-4-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol.
What is the SMILES notation for 2-cyclopentyloxy-4-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol?
The canonical SMILES for 2-cyclopentyloxy-4-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol is Oc1ccc(C2=NO[C@]3(CCOC3)C2)cc1OC1CCCC1.
What is the InChIKey of 2-cyclopentyloxy-4-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol?
The InChIKey is NNCQRRYTAYEFDO-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NO4/c19-15-6-5-12(9-16(15)21-13-3-1-2-4-13)14-10-17(22-18-14)7-8-20-11-17/h5-6,9,13,19H,1-4,7-8,10-11H2/t17-/m1/s1.
What are the key properties of 2-cyclopentyloxy-4-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol?
2-cyclopentyloxy-4-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol has a molecular weight of 303.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-4-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol is sourced from PubChem (CID 135869570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).