ethene;spiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]

C16H21NO — CID 143099821

IUPACethene;spiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]
SMILESC=C.c1ccc2c(c1)COC21CC2CCC(C1)N2
InChIInChI=1S/C14H17NO.C2H4/c1-2-4-13-10(3-1)9-16-14(13)7-11-5-6-12(8-14)15-11;1-2/h1-4,11-12,15H,5-9H2;1-2H2
InChIKeyHQEOTVKHILQEIU-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.13
Rot. Bonds

About ethene;spiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]

ethene;spiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane] (PubChem CID 143099821) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is ethene;spiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane].

Molecular Properties

Compound Nameethene;spiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]
PubChem CID143099821
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Nameethene;spiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]
SMILESC=C.c1ccc2c(c1)COC21CC2CCC(C1)N2
InChIInChI=1S/C14H17NO.C2H4/c1-2-4-13-10(3-1)9-16-14(13)7-11-5-6-12(8-14)15-11;1-2/h1-4,11-12,15H,5-9H2;1-2H2
InChIKeyHQEOTVKHILQEIU-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethene;spiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane] with MolForge

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Related Compounds

ethane;spiro[1H-2-benzofuran-3,4'-piperidine]
CID 163403209
spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-carboxylic acid
CID 59320740
spiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride
CID 66662035
N,N-diethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
CID 20562141
1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 10036300
spiro[3H-1-benzofuran-2,3'-8-azabicyclo[3.2.1]octane]
CID 105468819
1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 86733482
3,3-diphenyl-1H-2-benzofuran
CID 571068
spiro[1H-2-benzofuran-3,5'-bicyclo[2.2.2]octane]-2'-ol
CID 154062038
2-(3-methoxy-8-azabicyclo[3.2.1]octan-3-yl)phenol
CID 105493053
(3S)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-sulfonamide
CID 124618391
[1-(4-cyclopropylphenyl)cyclopropyl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone
CID 68860403

Frequently Asked Questions

What is the IUPAC name of ethene;spiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]?
The IUPAC name of ethene;spiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane] (CID 143099821) is ethene;spiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane].
What is the SMILES notation for ethene;spiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]?
The canonical SMILES for ethene;spiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane] is C=C.c1ccc2c(c1)COC21CC2CCC(C1)N2.
What is the InChIKey of ethene;spiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]?
The InChIKey is HQEOTVKHILQEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.C2H4/c1-2-4-13-10(3-1)9-16-14(13)7-11-5-6-12(8-14)15-11;1-2/h1-4,11-12,15H,5-9H2;1-2H2.
What are the key properties of ethene;spiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]?
ethene;spiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane] has a molecular weight of 243.35 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;spiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane] is sourced from PubChem (CID 143099821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).