(8aS)-7-methyl-8a-(2-methylprop-2-enyl)-2,3,5,8-tetrahydro-1H-indolizine

C13H21N — CID 58193766

IUPAC(8aS)-7-methyl-8a-(2-methylprop-2-enyl)-2,3,5,8-tetrahydro-1H-indolizine
SMILESC=C(C)C[C@]12CCCN1CC=C(C)C2
InChIInChI=1S/C13H21N/c1-11(2)9-13-6-4-7-14(13)8-5-12(3)10-13/h5H,1,4,6-10H2,2-3H3/t13-/m0/s1
InChIKeyCAYNHMPOSQBCRD-ZDUSSCGKSA-N
MW191.32 g/mol
LogP3.14
Rot. Bonds2

About (8aS)-7-methyl-8a-(2-methylprop-2-enyl)-2,3,5,8-tetrahydro-1H-indolizine

(8aS)-7-methyl-8a-(2-methylprop-2-enyl)-2,3,5,8-tetrahydro-1H-indolizine (PubChem CID 58193766) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (8aS)-7-methyl-8a-(2-methylprop-2-enyl)-2,3,5,8-tetrahydro-1H-indolizine.

Molecular Properties

Compound Name(8aS)-7-methyl-8a-(2-methylprop-2-enyl)-2,3,5,8-tetrahydro-1H-indolizine
PubChem CID58193766
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(8aS)-7-methyl-8a-(2-methylprop-2-enyl)-2,3,5,8-tetrahydro-1H-indolizine
SMILESC=C(C)C[C@]12CCCN1CC=C(C)C2
InChIInChI=1S/C13H21N/c1-11(2)9-13-6-4-7-14(13)8-5-12(3)10-13/h5H,1,4,6-10H2,2-3H3/t13-/m0/s1
InChIKeyCAYNHMPOSQBCRD-ZDUSSCGKSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.14
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 (8aS)-7-methyl-8a-(2-methylprop-2-enyl)-2,3,5,8-tetrahydro-1H-indolizine?
The IUPAC name of (8aS)-7-methyl-8a-(2-methylprop-2-enyl)-2,3,5,8-tetrahydro-1H-indolizine (CID 58193766) is (8aS)-7-methyl-8a-(2-methylprop-2-enyl)-2,3,5,8-tetrahydro-1H-indolizine.
What is the SMILES notation for (8aS)-7-methyl-8a-(2-methylprop-2-enyl)-2,3,5,8-tetrahydro-1H-indolizine?
The canonical SMILES for (8aS)-7-methyl-8a-(2-methylprop-2-enyl)-2,3,5,8-tetrahydro-1H-indolizine is C=C(C)C[C@]12CCCN1CC=C(C)C2.
What is the InChIKey of (8aS)-7-methyl-8a-(2-methylprop-2-enyl)-2,3,5,8-tetrahydro-1H-indolizine?
The InChIKey is CAYNHMPOSQBCRD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21N/c1-11(2)9-13-6-4-7-14(13)8-5-12(3)10-13/h5H,1,4,6-10H2,2-3H3/t13-/m0/s1.
What are the key properties of (8aS)-7-methyl-8a-(2-methylprop-2-enyl)-2,3,5,8-tetrahydro-1H-indolizine?
(8aS)-7-methyl-8a-(2-methylprop-2-enyl)-2,3,5,8-tetrahydro-1H-indolizine has a molecular weight of 191.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-7-methyl-8a-(2-methylprop-2-enyl)-2,3,5,8-tetrahydro-1H-indolizine is sourced from PubChem (CID 58193766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).