7-methylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane]

C14H19NO — CID 104696992

IUPAC7-methylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane]
SMILESCc1ccc2c(c1)CNCC21CCOCC1
InChIInChI=1S/C14H19NO/c1-11-2-3-13-12(8-11)9-15-10-14(13)4-6-16-7-5-14/h2-3,8,15H,4-7,9-10H2,1H3
InChIKeySQARKOOQDKTXDH-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.15
Rot. Bonds

About 7-methylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane]

7-methylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane] (PubChem CID 104696992) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 7-methylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane].

Molecular Properties

Compound Name7-methylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane]
PubChem CID104696992
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name7-methylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane]
SMILESCc1ccc2c(c1)CNCC21CCOCC1
InChIInChI=1S/C14H19NO/c1-11-2-3-13-12(8-11)9-15-10-14(13)4-6-16-7-5-14/h2-3,8,15H,4-7,9-10H2,1H3
InChIKeySQARKOOQDKTXDH-UHFFFAOYSA-N
XLogP2.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 139410237
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];hydrochloride
CID 155820090
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]
CID 71304013
6-methylspiro[1,2-dihydroisoindole-3,1'-cyclopropane]
CID 115012486
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
CID 11242950
4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline
CID 22978924
6-methylspiro[1,2-dihydroisoindole-3,4'-piperidine]
CID 84721497
6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 84662082
propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
CID 123656510
6-fluorospiro[1,2-dihydroindole-3,4'-oxane];hydrochloride
CID 131637863
6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
CID 69267820
6-methyl-1,2,3,4-tetrahydrophthalazine
CID 142250671

Frequently Asked Questions

What is the IUPAC name of 7-methylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane]?
The IUPAC name of 7-methylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane] (CID 104696992) is 7-methylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane].
What is the SMILES notation for 7-methylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane]?
The canonical SMILES for 7-methylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane] is Cc1ccc2c(c1)CNCC21CCOCC1.
What is the InChIKey of 7-methylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane]?
The InChIKey is SQARKOOQDKTXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-2-3-13-12(8-11)9-15-10-14(13)4-6-16-7-5-14/h2-3,8,15H,4-7,9-10H2,1H3.
What are the key properties of 7-methylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane]?
7-methylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane] has a molecular weight of 217.31 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane] is sourced from PubChem (CID 104696992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).