N-[2-(3-methoxyprop-1-ynyl)cyclopenten-1-yl]-N'-(2-prop-2-enoxyphenyl)methanediimine

C19H20N2O2 — CID 10946768

IUPACN-[2-(3-methoxyprop-1-ynyl)cyclopenten-1-yl]-N'-(2-prop-2-enoxyphenyl)methanediimine
SMILESC=CCOc1ccccc1N=C=NC1=C(C#CCOC)CCC1
InChIInChI=1S/C19H20N2O2/c1-3-13-23-19-12-5-4-10-18(19)21-15-20-17-11-6-8-16(17)9-7-14-22-2/h3-5,10,12H,1,6,8,11,13-14H2,2H3
InChIKeyTTXMADNKJPFCAP-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.14
Rot. Bonds6

About N-[2-(3-methoxyprop-1-ynyl)cyclopenten-1-yl]-N'-(2-prop-2-enoxyphenyl)methanediimine

N-[2-(3-methoxyprop-1-ynyl)cyclopenten-1-yl]-N'-(2-prop-2-enoxyphenyl)methanediimine (PubChem CID 10946768) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(3-methoxyprop-1-ynyl)cyclopenten-1-yl]-N'-(2-prop-2-enoxyphenyl)methanediimine.

Molecular Properties

Compound NameN-[2-(3-methoxyprop-1-ynyl)cyclopenten-1-yl]-N'-(2-prop-2-enoxyphenyl)methanediimine
PubChem CID10946768
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[2-(3-methoxyprop-1-ynyl)cyclopenten-1-yl]-N'-(2-prop-2-enoxyphenyl)methanediimine
SMILESC=CCOc1ccccc1N=C=NC1=C(C#CCOC)CCC1
InChIInChI=1S/C19H20N2O2/c1-3-13-23-19-12-5-4-10-18(19)21-15-20-17-11-6-8-16(17)9-7-14-22-2/h3-5,10,12H,1,6,8,11,13-14H2,2H3
InChIKeyTTXMADNKJPFCAP-UHFFFAOYSA-N
XLogP4.14
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyprop-1-ynyl)cyclopenten-1-yl]-N'-(2-prop-2-enoxyphenyl)methanediimine?
The IUPAC name of N-[2-(3-methoxyprop-1-ynyl)cyclopenten-1-yl]-N'-(2-prop-2-enoxyphenyl)methanediimine (CID 10946768) is N-[2-(3-methoxyprop-1-ynyl)cyclopenten-1-yl]-N'-(2-prop-2-enoxyphenyl)methanediimine.
What is the SMILES notation for N-[2-(3-methoxyprop-1-ynyl)cyclopenten-1-yl]-N'-(2-prop-2-enoxyphenyl)methanediimine?
The canonical SMILES for N-[2-(3-methoxyprop-1-ynyl)cyclopenten-1-yl]-N'-(2-prop-2-enoxyphenyl)methanediimine is C=CCOc1ccccc1N=C=NC1=C(C#CCOC)CCC1.
What is the InChIKey of N-[2-(3-methoxyprop-1-ynyl)cyclopenten-1-yl]-N'-(2-prop-2-enoxyphenyl)methanediimine?
The InChIKey is TTXMADNKJPFCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-13-23-19-12-5-4-10-18(19)21-15-20-17-11-6-8-16(17)9-7-14-22-2/h3-5,10,12H,1,6,8,11,13-14H2,2H3.
What are the key properties of N-[2-(3-methoxyprop-1-ynyl)cyclopenten-1-yl]-N'-(2-prop-2-enoxyphenyl)methanediimine?
N-[2-(3-methoxyprop-1-ynyl)cyclopenten-1-yl]-N'-(2-prop-2-enoxyphenyl)methanediimine has a molecular weight of 308.38 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyprop-1-ynyl)cyclopenten-1-yl]-N'-(2-prop-2-enoxyphenyl)methanediimine is sourced from PubChem (CID 10946768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).