7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene

C19H25NO3 — CID 91494855

IUPAC7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene
SMILESCOc1ccc(C2=CCC3(CCC3)ON2)cc1OC1CCCC1
InChIInChI=1S/C19H25NO3/c1-21-17-8-7-14(13-18(17)22-15-5-2-3-6-15)16-9-12-19(23-20-16)10-4-11-19/h7-9,13,15,20H,2-6,10-12H2,1H3
InChIKeyNXHIXBDTCPSZLM-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.21
Rot. Bonds4

About 7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene

7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene (PubChem CID 91494855) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene.

Molecular Properties

Compound Name7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene
PubChem CID91494855
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene
SMILESCOc1ccc(C2=CCC3(CCC3)ON2)cc1OC1CCCC1
InChIInChI=1S/C19H25NO3/c1-21-17-8-7-14(13-18(17)22-15-5-2-3-6-15)16-9-12-19(23-20-16)10-4-11-19/h7-9,13,15,20H,2-6,10-12H2,1H3
InChIKeyNXHIXBDTCPSZLM-UHFFFAOYSA-N
XLogP4.21
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-5-piperazin-1-yl-2H-1,2-oxazole
CID 91531973
3-(3-cyclopentyloxy-4-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carbaldehyde
CID 57160895
[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-cyclopropylmethanone
CID 91270856
3-(3-cycloheptyloxy-4-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene
CID 91294469
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazole-5-carbonyl]piperidin-4-one
CID 91203231
1-butyl-1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-3-en-8-yl]urea
CID 90922806
4-amino-3-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-1H-1,2,4-triazole-5-thione
CID 90794181
5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 90770857
2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-en-4-yl]acetic acid
CID 91392041
[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-(oxolan-3-yl)methanone
CID 91536341
[2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-iminoethyl] acetate
CID 90729149
[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 91432284

Frequently Asked Questions

What is the IUPAC name of 7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene?
The IUPAC name of 7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene (CID 91494855) is 7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene.
What is the SMILES notation for 7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene?
The canonical SMILES for 7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene is COc1ccc(C2=CCC3(CCC3)ON2)cc1OC1CCCC1.
What is the InChIKey of 7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene?
The InChIKey is NXHIXBDTCPSZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-21-17-8-7-14(13-18(17)22-15-5-2-3-6-15)16-9-12-19(23-20-16)10-4-11-19/h7-9,13,15,20H,2-6,10-12H2,1H3.
What are the key properties of 7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene?
7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene has a molecular weight of 315.41 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene is sourced from PubChem (CID 91494855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).