acetylene;2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-N-(2-methoxyethyl)ethanamine

C15H24N2O — CID 142861948

IUPACacetylene;2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-N-(2-methoxyethyl)ethanamine
SMILESC#C.C/C=c1/c(CCNCCOC)c[nH]/c1=C/C
InChIInChI=1S/C13H22N2O.C2H2/c1-4-12-11(10-15-13(12)5-2)6-7-14-8-9-16-3;1-2/h4-5,10,14-15H,6-9H2,1-3H3;1-2H/b12-4-,13-5+;
InChIKeySQLLLJLRMFVSDP-QEHHFKCISA-N
MW248.37 g/mol
LogP0.64
Rot. Bonds6

About acetylene;2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-N-(2-methoxyethyl)ethanamine

acetylene;2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-N-(2-methoxyethyl)ethanamine (PubChem CID 142861948) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is acetylene;2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Nameacetylene;2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-N-(2-methoxyethyl)ethanamine
PubChem CID142861948
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Nameacetylene;2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-N-(2-methoxyethyl)ethanamine
SMILESC#C.C/C=c1/c(CCNCCOC)c[nH]/c1=C/C
InChIInChI=1S/C13H22N2O.C2H2/c1-4-12-11(10-15-13(12)5-2)6-7-14-8-9-16-3;1-2/h4-5,10,14-15H,6-9H2,1-3H3;1-2H/b12-4-,13-5+;
InChIKeySQLLLJLRMFVSDP-QEHHFKCISA-N
XLogP0.64
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze acetylene;2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-N-(2-methoxyethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetylene;2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-N-(2-methoxyethyl)ethanamine?
The IUPAC name of acetylene;2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-N-(2-methoxyethyl)ethanamine (CID 142861948) is acetylene;2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for acetylene;2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for acetylene;2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-N-(2-methoxyethyl)ethanamine is C#C.C/C=c1/c(CCNCCOC)c[nH]/c1=C/C.
What is the InChIKey of acetylene;2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-N-(2-methoxyethyl)ethanamine?
The InChIKey is SQLLLJLRMFVSDP-QEHHFKCISA-N. The full InChI is InChI=1S/C13H22N2O.C2H2/c1-4-12-11(10-15-13(12)5-2)6-7-14-8-9-16-3;1-2/h4-5,10,14-15H,6-9H2,1-3H3;1-2H/b12-4-,13-5+;.
What are the key properties of acetylene;2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-N-(2-methoxyethyl)ethanamine?
acetylene;2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-N-(2-methoxyethyl)ethanamine has a molecular weight of 248.37 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 142861948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).