azetidine;(1S)-1,5-dimethyl-2,3,4,5-tetrahydro-1H-indene

C14H23N — CID 164603215

IUPACazetidine;(1S)-1,5-dimethyl-2,3,4,5-tetrahydro-1H-indene
SMILESC1CNC1.CC1C=CC2=C(CC[C@@H]2C)C1
InChIInChI=1S/C11H16.C3H7N/c1-8-3-6-11-9(2)4-5-10(11)7-8;1-2-4-3-1/h3,6,8-9H,4-5,7H2,1-2H3;4H,1-3H2/t8?,9-;/m0./s1
InChIKeyQXNUHHJMVUAEAT-MTFPJWTKSA-N
MW205.34 g/mol
LogP3.29
Rot. Bonds

About azetidine;(1S)-1,5-dimethyl-2,3,4,5-tetrahydro-1H-indene

azetidine;(1S)-1,5-dimethyl-2,3,4,5-tetrahydro-1H-indene (PubChem CID 164603215) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is azetidine;(1S)-1,5-dimethyl-2,3,4,5-tetrahydro-1H-indene.

Molecular Properties

Compound Nameazetidine;(1S)-1,5-dimethyl-2,3,4,5-tetrahydro-1H-indene
PubChem CID164603215
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Nameazetidine;(1S)-1,5-dimethyl-2,3,4,5-tetrahydro-1H-indene
SMILESC1CNC1.CC1C=CC2=C(CC[C@@H]2C)C1
InChIInChI=1S/C11H16.C3H7N/c1-8-3-6-11-9(2)4-5-10(11)7-8;1-2-4-3-1/h3,6,8-9H,4-5,7H2,1-2H3;4H,1-3H2/t8?,9-;/m0./s1
InChIKeyQXNUHHJMVUAEAT-MTFPJWTKSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azetidine;(1S)-1,5-dimethyl-2,3,4,5-tetrahydro-1H-indene?
The IUPAC name of azetidine;(1S)-1,5-dimethyl-2,3,4,5-tetrahydro-1H-indene (CID 164603215) is azetidine;(1S)-1,5-dimethyl-2,3,4,5-tetrahydro-1H-indene.
What is the SMILES notation for azetidine;(1S)-1,5-dimethyl-2,3,4,5-tetrahydro-1H-indene?
The canonical SMILES for azetidine;(1S)-1,5-dimethyl-2,3,4,5-tetrahydro-1H-indene is C1CNC1.CC1C=CC2=C(CC[C@@H]2C)C1.
What is the InChIKey of azetidine;(1S)-1,5-dimethyl-2,3,4,5-tetrahydro-1H-indene?
The InChIKey is QXNUHHJMVUAEAT-MTFPJWTKSA-N. The full InChI is InChI=1S/C11H16.C3H7N/c1-8-3-6-11-9(2)4-5-10(11)7-8;1-2-4-3-1/h3,6,8-9H,4-5,7H2,1-2H3;4H,1-3H2/t8?,9-;/m0./s1.
What are the key properties of azetidine;(1S)-1,5-dimethyl-2,3,4,5-tetrahydro-1H-indene?
azetidine;(1S)-1,5-dimethyl-2,3,4,5-tetrahydro-1H-indene has a molecular weight of 205.34 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;(1S)-1,5-dimethyl-2,3,4,5-tetrahydro-1H-indene is sourced from PubChem (CID 164603215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).