(4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane

C15H19N — CID 145071819

IUPAC(4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane
SMILESC=C1CC[C@]12CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H19N/c1-13-7-8-15(13)9-10-16(12-15)11-14-5-3-2-4-6-14/h2-6H,1,7-12H2/t15-/m1/s1
InChIKeyWIPKZMBVEVACCH-OAHLLOKOSA-N
MW213.32 g/mol
LogP3.23
Rot. Bonds2

About (4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane

(4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane (PubChem CID 145071819) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is (4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name(4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane
PubChem CID145071819
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name(4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane
SMILESC=C1CC[C@]12CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H19N/c1-13-7-8-15(13)9-10-16(12-15)11-14-5-3-2-4-6-14/h2-6H,1,7-12H2/t15-/m1/s1
InChIKeyWIPKZMBVEVACCH-OAHLLOKOSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-benzyl-2-(bromomethyl)-6-azaspiro[3.4]octane
CID 71650612
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
(1-benzyl-3-methoxypyrrolidin-3-yl)methanol
CID 19382171
1'-benzylspiro[6,7-dihydro-5H-imidazo[1,5-a]pyridine-8,3'-pyrrolidine]
CID 68575735
2-benzyl-8-(chloromethyl)-2-azaspiro[4.5]decane
CID 71646570
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
2-benzyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 2868838
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine
CID 98089072
7-benzyl-1,7-diazaspiro[4.4]nonan-2-one
CID 83823846
1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol
CID 80605715
1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine
CID 53403180

Frequently Asked Questions

What is the IUPAC name of (4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane?
The IUPAC name of (4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane (CID 145071819) is (4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane.
What is the SMILES notation for (4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane?
The canonical SMILES for (4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane is C=C1CC[C@]12CCN(Cc1ccccc1)C2.
What is the InChIKey of (4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane?
The InChIKey is WIPKZMBVEVACCH-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N/c1-13-7-8-15(13)9-10-16(12-15)11-14-5-3-2-4-6-14/h2-6H,1,7-12H2/t15-/m1/s1.
What are the key properties of (4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane?
(4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane has a molecular weight of 213.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane is sourced from PubChem (CID 145071819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).