1,4,5-trimethyl-2,3-dihydrocyclopenta[b]pyrrol-1-ium

C10H14N+ — CID 169322691

IUPAC1,4,5-trimethyl-2,3-dihydrocyclopenta[b]pyrrol-1-ium
SMILESCC1=CC2=[N+](C)CCC2=C1C
InChIInChI=1S/C10H14N/c1-7-6-10-9(8(7)2)4-5-11(10)3/h6H,4-5H2,1-3H3/q+1
InChIKeyNZCLPCMTLPJRTG-UHFFFAOYSA-N
MW148.23 g/mol
LogP1.75
Rot. Bonds

About 1,4,5-trimethyl-2,3-dihydrocyclopenta[b]pyrrol-1-ium

1,4,5-trimethyl-2,3-dihydrocyclopenta[b]pyrrol-1-ium (PubChem CID 169322691) has the molecular formula C10H14N+ and a molecular weight of 148.23 g/mol. Its IUPAC name is 1,4,5-trimethyl-2,3-dihydrocyclopenta[b]pyrrol-1-ium.

Molecular Properties

Compound Name1,4,5-trimethyl-2,3-dihydrocyclopenta[b]pyrrol-1-ium
PubChem CID169322691
Molecular FormulaC10H14N+
Molecular Weight148.23 g/mol
Exact Mass148.11
IUPAC Name1,4,5-trimethyl-2,3-dihydrocyclopenta[b]pyrrol-1-ium
SMILESCC1=CC2=[N+](C)CCC2=C1C
InChIInChI=1S/C10H14N/c1-7-6-10-9(8(7)2)4-5-11(10)3/h6H,4-5H2,1-3H3/q+1
InChIKeyNZCLPCMTLPJRTG-UHFFFAOYSA-N
XLogP1.75
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-2,3-dihydrocyclopenta[b]pyrrole
CID 70013175
2-Methyl-2-azoniabicyclo[2.2.1]hepta-1,4(7)-diene
CID 91142984
6-Methyl-5-methylidene-2,3-dihydroindole
CID 132037946
2,3-Dihydrocyclopenta[b]pyrrole
CID 136591301
CID 141771357
CID 141771357
ethane;(3E)-5-methyl-4-methylidene-1-[(Z)-prop-1-enyl]-3-prop-2-enylidene-2H-pyrrol-1-ium
CID 145695705
(5Z)-N,6-dimethyl-1-pyrrolidin-1-ylocta-5,7-dien-4-imine
CID 157028512
5-(5-ethenyl-2-methylbenzene-4-id-1-yl)-1-methyl-3,4-dihydro-2H-pyrrol-1-ium;undecakis(yttrium)
CID 157600322
5-(4-ethenyl-2-methylbenzene-5-id-1-yl)-1-methyl-3,4-dihydro-2H-pyrrol-1-ium;henicosakis(yttrium)
CID 158525456
4-ethenyl-N,N,5-trimethyl-3-methyliminohex-4-en-1-amine
CID 167256362
(6Z)-4-methyl-3,7,8,9-tetrahydro-2H-cyclopenta[b]azocine
CID 169813705
(3E,4E)-5-methyl-3,4-bis(prop-2-enylidene)-2H-pyrrole
CID 174311014

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-2,3-dihydrocyclopenta[b]pyrrol-1-ium?
The IUPAC name of 1,4,5-trimethyl-2,3-dihydrocyclopenta[b]pyrrol-1-ium (CID 169322691) is 1,4,5-trimethyl-2,3-dihydrocyclopenta[b]pyrrol-1-ium.
What is the SMILES notation for 1,4,5-trimethyl-2,3-dihydrocyclopenta[b]pyrrol-1-ium?
The canonical SMILES for 1,4,5-trimethyl-2,3-dihydrocyclopenta[b]pyrrol-1-ium is CC1=CC2=[N+](C)CCC2=C1C.
What is the InChIKey of 1,4,5-trimethyl-2,3-dihydrocyclopenta[b]pyrrol-1-ium?
The InChIKey is NZCLPCMTLPJRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N/c1-7-6-10-9(8(7)2)4-5-11(10)3/h6H,4-5H2,1-3H3/q+1.
What are the key properties of 1,4,5-trimethyl-2,3-dihydrocyclopenta[b]pyrrol-1-ium?
1,4,5-trimethyl-2,3-dihydrocyclopenta[b]pyrrol-1-ium has a molecular weight of 148.23 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-2,3-dihydrocyclopenta[b]pyrrol-1-ium is sourced from PubChem (CID 169322691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).