ethylidene-methyl-[(5-methyl-1,3-dihydropyrrol-2-ylidene)methyl]azanium

C9H15N2+ — CID 123432649

IUPACethylidene-methyl-[(5-methyl-1,3-dihydropyrrol-2-ylidene)methyl]azanium
SMILESC/C=[N+](\C)C=C1CC=C(C)N1
InChIInChI=1S/C9H15N2/c1-4-11(3)7-9-6-5-8(2)10-9/h4-5,7,10H,6H2,1-3H3/q+1/b9-7?,11-4+
InChIKeyHUGVQHHACQTQQJ-ANSDUQBVSA-N
MW151.23 g/mol
LogP1.46
Rot. Bonds1

About ethylidene-methyl-[(5-methyl-1,3-dihydropyrrol-2-ylidene)methyl]azanium

ethylidene-methyl-[(5-methyl-1,3-dihydropyrrol-2-ylidene)methyl]azanium (PubChem CID 123432649) has the molecular formula C9H15N2+ and a molecular weight of 151.23 g/mol. Its IUPAC name is ethylidene-methyl-[(5-methyl-1,3-dihydropyrrol-2-ylidene)methyl]azanium.

Molecular Properties

Compound Nameethylidene-methyl-[(5-methyl-1,3-dihydropyrrol-2-ylidene)methyl]azanium
PubChem CID123432649
Molecular FormulaC9H15N2+
Molecular Weight151.23 g/mol
Exact Mass151.12
IUPAC Nameethylidene-methyl-[(5-methyl-1,3-dihydropyrrol-2-ylidene)methyl]azanium
SMILESC/C=[N+](\C)C=C1CC=C(C)N1
InChIInChI=1S/C9H15N2/c1-4-11(3)7-9-6-5-8(2)10-9/h4-5,7,10H,6H2,1-3H3/q+1/b9-7?,11-4+
InChIKeyHUGVQHHACQTQQJ-ANSDUQBVSA-N
XLogP1.46
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethylidene-methyl-[(5-methyl-1,3-dihydropyrrol-2-ylidene)methyl]azanium?
The IUPAC name of ethylidene-methyl-[(5-methyl-1,3-dihydropyrrol-2-ylidene)methyl]azanium (CID 123432649) is ethylidene-methyl-[(5-methyl-1,3-dihydropyrrol-2-ylidene)methyl]azanium.
What is the SMILES notation for ethylidene-methyl-[(5-methyl-1,3-dihydropyrrol-2-ylidene)methyl]azanium?
The canonical SMILES for ethylidene-methyl-[(5-methyl-1,3-dihydropyrrol-2-ylidene)methyl]azanium is C/C=[N+](\C)C=C1CC=C(C)N1.
What is the InChIKey of ethylidene-methyl-[(5-methyl-1,3-dihydropyrrol-2-ylidene)methyl]azanium?
The InChIKey is HUGVQHHACQTQQJ-ANSDUQBVSA-N. The full InChI is InChI=1S/C9H15N2/c1-4-11(3)7-9-6-5-8(2)10-9/h4-5,7,10H,6H2,1-3H3/q+1/b9-7?,11-4+.
What are the key properties of ethylidene-methyl-[(5-methyl-1,3-dihydropyrrol-2-ylidene)methyl]azanium?
ethylidene-methyl-[(5-methyl-1,3-dihydropyrrol-2-ylidene)methyl]azanium has a molecular weight of 151.23 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidene-methyl-[(5-methyl-1,3-dihydropyrrol-2-ylidene)methyl]azanium is sourced from PubChem (CID 123432649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).