1,2,3,4-tetramethyl-3H-pyrrolo[3,2-b]indol-1-ium

C14H17N2+ — CID 162037381

IUPAC1,2,3,4-tetramethyl-3H-pyrrolo[3,2-b]indol-1-ium
SMILESCC1=[N+](C)c2c(n(C)c3ccccc23)C1C
InChIInChI=1S/C14H17N2/c1-9-10(2)15(3)14-11-7-5-6-8-12(11)16(4)13(9)14/h5-9H,1-4H3/q+1
InChIKeyLBESBBVRYCWYIX-UHFFFAOYSA-N
MW213.30 g/mol
LogP3.03
Rot. Bonds

About 1,2,3,4-tetramethyl-3H-pyrrolo[3,2-b]indol-1-ium

1,2,3,4-tetramethyl-3H-pyrrolo[3,2-b]indol-1-ium (PubChem CID 162037381) has the molecular formula C14H17N2+ and a molecular weight of 213.30 g/mol. Its IUPAC name is 1,2,3,4-tetramethyl-3H-pyrrolo[3,2-b]indol-1-ium.

Molecular Properties

Compound Name1,2,3,4-tetramethyl-3H-pyrrolo[3,2-b]indol-1-ium
PubChem CID162037381
Molecular FormulaC14H17N2+
Molecular Weight213.30 g/mol
Exact Mass213.14
IUPAC Name1,2,3,4-tetramethyl-3H-pyrrolo[3,2-b]indol-1-ium
SMILESCC1=[N+](C)c2c(n(C)c3ccccc23)C1C
InChIInChI=1S/C14H17N2/c1-9-10(2)15(3)14-11-7-5-6-8-12(11)16(4)13(9)14/h5-9H,1-4H3/q+1
InChIKeyLBESBBVRYCWYIX-UHFFFAOYSA-N
XLogP3.03
TPSA7.94 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethyl-3H-pyrrolo[3,2-b]indol-1-ium?
The IUPAC name of 1,2,3,4-tetramethyl-3H-pyrrolo[3,2-b]indol-1-ium (CID 162037381) is 1,2,3,4-tetramethyl-3H-pyrrolo[3,2-b]indol-1-ium.
What is the SMILES notation for 1,2,3,4-tetramethyl-3H-pyrrolo[3,2-b]indol-1-ium?
The canonical SMILES for 1,2,3,4-tetramethyl-3H-pyrrolo[3,2-b]indol-1-ium is CC1=[N+](C)c2c(n(C)c3ccccc23)C1C.
What is the InChIKey of 1,2,3,4-tetramethyl-3H-pyrrolo[3,2-b]indol-1-ium?
The InChIKey is LBESBBVRYCWYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N2/c1-9-10(2)15(3)14-11-7-5-6-8-12(11)16(4)13(9)14/h5-9H,1-4H3/q+1.
What are the key properties of 1,2,3,4-tetramethyl-3H-pyrrolo[3,2-b]indol-1-ium?
1,2,3,4-tetramethyl-3H-pyrrolo[3,2-b]indol-1-ium has a molecular weight of 213.30 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethyl-3H-pyrrolo[3,2-b]indol-1-ium is sourced from PubChem (CID 162037381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).