(8S)-3,3-dideuterio-8-methyl-6-methylidene-1,2,5,7-tetrahydropyrrolizine

C9H15N — CID 176835299

IUPAC(8S)-3,3-dideuterio-8-methyl-6-methylidene-1,2,5,7-tetrahydropyrrolizine
SMILES[2H]C1([2H])CC[C@@]2(C)CC(=C)CN12
InChIInChI=1S/C9H15N/c1-8-6-9(2)4-3-5-10(9)7-8/h1,3-7H2,2H3/t9-/m0/s1/i5D2
InChIKeyOMKOUFAVIAUGMM-XBOVVARDSA-N
MW139.24 g/mol
LogP1.80
Rot. Bonds

About (8S)-3,3-dideuterio-8-methyl-6-methylidene-1,2,5,7-tetrahydropyrrolizine

(8S)-3,3-dideuterio-8-methyl-6-methylidene-1,2,5,7-tetrahydropyrrolizine (PubChem CID 176835299) has the molecular formula C9H15N and a molecular weight of 139.24 g/mol. Its IUPAC name is (8S)-3,3-dideuterio-8-methyl-6-methylidene-1,2,5,7-tetrahydropyrrolizine.

Molecular Properties

Compound Name(8S)-3,3-dideuterio-8-methyl-6-methylidene-1,2,5,7-tetrahydropyrrolizine
PubChem CID176835299
Molecular FormulaC9H15N
Molecular Weight139.24 g/mol
Exact Mass139.13
IUPAC Name(8S)-3,3-dideuterio-8-methyl-6-methylidene-1,2,5,7-tetrahydropyrrolizine
SMILES[2H]C1([2H])CC[C@@]2(C)CC(=C)CN12
InChIInChI=1S/C9H15N/c1-8-6-9(2)4-3-5-10(9)7-8/h1,3-7H2,2H3/t9-/m0/s1/i5D2
InChIKeyOMKOUFAVIAUGMM-XBOVVARDSA-N
XLogP1.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8S)-3,3-dideuterio-8-methyl-6-methylidene-1,2,5,7-tetrahydropyrrolizine?
The IUPAC name of (8S)-3,3-dideuterio-8-methyl-6-methylidene-1,2,5,7-tetrahydropyrrolizine (CID 176835299) is (8S)-3,3-dideuterio-8-methyl-6-methylidene-1,2,5,7-tetrahydropyrrolizine.
What is the SMILES notation for (8S)-3,3-dideuterio-8-methyl-6-methylidene-1,2,5,7-tetrahydropyrrolizine?
The canonical SMILES for (8S)-3,3-dideuterio-8-methyl-6-methylidene-1,2,5,7-tetrahydropyrrolizine is [2H]C1([2H])CC[C@@]2(C)CC(=C)CN12.
What is the InChIKey of (8S)-3,3-dideuterio-8-methyl-6-methylidene-1,2,5,7-tetrahydropyrrolizine?
The InChIKey is OMKOUFAVIAUGMM-XBOVVARDSA-N. The full InChI is InChI=1S/C9H15N/c1-8-6-9(2)4-3-5-10(9)7-8/h1,3-7H2,2H3/t9-/m0/s1/i5D2.
What are the key properties of (8S)-3,3-dideuterio-8-methyl-6-methylidene-1,2,5,7-tetrahydropyrrolizine?
(8S)-3,3-dideuterio-8-methyl-6-methylidene-1,2,5,7-tetrahydropyrrolizine has a molecular weight of 139.24 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-3,3-dideuterio-8-methyl-6-methylidene-1,2,5,7-tetrahydropyrrolizine is sourced from PubChem (CID 176835299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).