12,12-dimethyl-9,10,11,11a-tetrahydro-8H-naphtho[1,2-b]indolizine

C18H21N — CID 102457842

IUPAC12,12-dimethyl-9,10,11,11a-tetrahydro-8H-naphtho[1,2-b]indolizine
SMILESCC1(C)c2c(ccc3ccccc23)N2CCCCC21
InChIInChI=1S/C18H21N/c1-18(2)16-9-5-6-12-19(16)15-11-10-13-7-3-4-8-14(13)17(15)18/h3-4,7-8,10-11,16H,5-6,9,12H2,1-2H3
InChIKeyUZANWGLFDUSPMG-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.49
Rot. Bonds

About 12,12-dimethyl-9,10,11,11a-tetrahydro-8H-naphtho[1,2-b]indolizine

12,12-dimethyl-9,10,11,11a-tetrahydro-8H-naphtho[1,2-b]indolizine (PubChem CID 102457842) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 12,12-dimethyl-9,10,11,11a-tetrahydro-8H-naphtho[1,2-b]indolizine.

Molecular Properties

Compound Name12,12-dimethyl-9,10,11,11a-tetrahydro-8H-naphtho[1,2-b]indolizine
PubChem CID102457842
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name12,12-dimethyl-9,10,11,11a-tetrahydro-8H-naphtho[1,2-b]indolizine
SMILESCC1(C)c2c(ccc3ccccc23)N2CCCCC21
InChIInChI=1S/C18H21N/c1-18(2)16-9-5-6-12-19(16)15-11-10-13-7-3-4-8-14(13)17(15)18/h3-4,7-8,10-11,16H,5-6,9,12H2,1-2H3
InChIKeyUZANWGLFDUSPMG-UHFFFAOYSA-N
XLogP4.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-9,10,11,11a-tetrahydro-8H-naphtho[1,2-b]indolizine?
The IUPAC name of 12,12-dimethyl-9,10,11,11a-tetrahydro-8H-naphtho[1,2-b]indolizine (CID 102457842) is 12,12-dimethyl-9,10,11,11a-tetrahydro-8H-naphtho[1,2-b]indolizine.
What is the SMILES notation for 12,12-dimethyl-9,10,11,11a-tetrahydro-8H-naphtho[1,2-b]indolizine?
The canonical SMILES for 12,12-dimethyl-9,10,11,11a-tetrahydro-8H-naphtho[1,2-b]indolizine is CC1(C)c2c(ccc3ccccc23)N2CCCCC21.
What is the InChIKey of 12,12-dimethyl-9,10,11,11a-tetrahydro-8H-naphtho[1,2-b]indolizine?
The InChIKey is UZANWGLFDUSPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-18(2)16-9-5-6-12-19(16)15-11-10-13-7-3-4-8-14(13)17(15)18/h3-4,7-8,10-11,16H,5-6,9,12H2,1-2H3.
What are the key properties of 12,12-dimethyl-9,10,11,11a-tetrahydro-8H-naphtho[1,2-b]indolizine?
12,12-dimethyl-9,10,11,11a-tetrahydro-8H-naphtho[1,2-b]indolizine has a molecular weight of 251.37 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-9,10,11,11a-tetrahydro-8H-naphtho[1,2-b]indolizine is sourced from PubChem (CID 102457842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).