9-(6-methoxynaphthalen-2-yl)-3-azaspiro[5.5]undec-9-ene

C21H25NO — CID 11984595

IUPAC9-(6-methoxynaphthalen-2-yl)-3-azaspiro[5.5]undec-9-ene
SMILESCOc1ccc2cc(C3=CCC4(CCNCC4)CC3)ccc2c1
InChIInChI=1S/C21H25NO/c1-23-20-5-4-18-14-17(2-3-19(18)15-20)16-6-8-21(9-7-16)10-12-22-13-11-21/h2-6,14-15,22H,7-13H2,1H3
InChIKeyHCZGRDFJPIIJTP-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.79
Rot. Bonds2

About 9-(6-methoxynaphthalen-2-yl)-3-azaspiro[5.5]undec-9-ene

9-(6-methoxynaphthalen-2-yl)-3-azaspiro[5.5]undec-9-ene (PubChem CID 11984595) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 9-(6-methoxynaphthalen-2-yl)-3-azaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name9-(6-methoxynaphthalen-2-yl)-3-azaspiro[5.5]undec-9-ene
PubChem CID11984595
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name9-(6-methoxynaphthalen-2-yl)-3-azaspiro[5.5]undec-9-ene
SMILESCOc1ccc2cc(C3=CCC4(CCNCC4)CC3)ccc2c1
InChIInChI=1S/C21H25NO/c1-23-20-5-4-18-14-17(2-3-19(18)15-20)16-6-8-21(9-7-16)10-12-22-13-11-21/h2-6,14-15,22H,7-13H2,1H3
InChIKeyHCZGRDFJPIIJTP-UHFFFAOYSA-N
XLogP4.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
4-(6-methoxynaphthalen-2-yl)piperidin-4-ol;hydrochloride
CID 142647916
4-(2,5-dimethoxyphenyl)-4-methylpiperidine
CID 63156571
8-naphthalen-2-yl-1,4-dioxaspiro[4.5]dec-7-ene
CID 134381562
6-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]
CID 82277020
1-[2-(4,4-diethylcyclohexen-1-yl)-5-methoxyphenyl]piperazine
CID 23142033
2,7-bis(6-methoxynaphthalen-2-yl)-9,9-dimethylfluorene
CID 90394308
4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
CID 21289058
4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
CID 119699303
2-methoxy-6-phenylnaphthalene
CID 11253308
2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene
CID 58556071
2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene
CID 20500113

Frequently Asked Questions

What is the IUPAC name of 9-(6-methoxynaphthalen-2-yl)-3-azaspiro[5.5]undec-9-ene?
The IUPAC name of 9-(6-methoxynaphthalen-2-yl)-3-azaspiro[5.5]undec-9-ene (CID 11984595) is 9-(6-methoxynaphthalen-2-yl)-3-azaspiro[5.5]undec-9-ene.
What is the SMILES notation for 9-(6-methoxynaphthalen-2-yl)-3-azaspiro[5.5]undec-9-ene?
The canonical SMILES for 9-(6-methoxynaphthalen-2-yl)-3-azaspiro[5.5]undec-9-ene is COc1ccc2cc(C3=CCC4(CCNCC4)CC3)ccc2c1.
What is the InChIKey of 9-(6-methoxynaphthalen-2-yl)-3-azaspiro[5.5]undec-9-ene?
The InChIKey is HCZGRDFJPIIJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-23-20-5-4-18-14-17(2-3-19(18)15-20)16-6-8-21(9-7-16)10-12-22-13-11-21/h2-6,14-15,22H,7-13H2,1H3.
What are the key properties of 9-(6-methoxynaphthalen-2-yl)-3-azaspiro[5.5]undec-9-ene?
9-(6-methoxynaphthalen-2-yl)-3-azaspiro[5.5]undec-9-ene has a molecular weight of 307.44 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methoxynaphthalen-2-yl)-3-azaspiro[5.5]undec-9-ene is sourced from PubChem (CID 11984595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).