N-[4-[(2E)-2-(1-prop-2-enyl-2-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide

C18H18N2O — CID 126419249

IUPACN-[4-[(2E)-2-(1-prop-2-enyl-2-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide
SMILESC=CCN1C=CC=C/C1=C\C=C1C=CC(=NC(C)=O)C=C1
InChIInChI=1S/C18H18N2O/c1-3-13-20-14-5-4-6-18(20)12-9-16-7-10-17(11-8-16)19-15(2)21/h3-12,14H,1,13H2,2H3/b16-9-,18-12+,19-17+
InChIKeyBBIUZTIRLBFWSF-PFTHRHHBSA-N
MW278.36 g/mol
LogP3.48
Rot. Bonds3

About N-[4-[(2E)-2-(1-prop-2-enyl-2-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide

N-[4-[(2E)-2-(1-prop-2-enyl-2-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide (PubChem CID 126419249) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[4-[(2E)-2-(1-prop-2-enyl-2-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide.

Molecular Properties

Compound NameN-[4-[(2E)-2-(1-prop-2-enyl-2-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide
PubChem CID126419249
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-[4-[(2E)-2-(1-prop-2-enyl-2-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide
SMILESC=CCN1C=CC=C/C1=C\C=C1C=CC(=NC(C)=O)C=C1
InChIInChI=1S/C18H18N2O/c1-3-13-20-14-5-4-6-18(20)12-9-16-7-10-17(11-8-16)19-15(2)21/h3-12,14H,1,13H2,2H3/b16-9-,18-12+,19-17+
InChIKeyBBIUZTIRLBFWSF-PFTHRHHBSA-N
XLogP3.48
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dienyl]-3-methylpyrazin-2-one
CID 144352190
ethane;1-methyl-4-(5-methyl-4H-pyridin-4-id-2-yl)pyridin-2-one;yttrium
CID 172336145
ethane;1-[(5-methyl-4H-pyridin-4-id-2-yl)methyl]pyridin-2-one;yttrium
CID 177234828
N-[3,5-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide
CID 101358952
N-(1-methylquinolin-5-ylidene)acetamide
CID 124288594
N-[4-[(2Z)-2-(1-methyl-2-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide
CID 124295823
N-[4-[(2E)-2-(1-methyl-2-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide
CID 124295824
N-[4-[2-(1-ethyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide
CID 124295901
N-[4-[(2Z)-2-(1-prop-2-enyl-2-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide
CID 126419248
N-[4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide;hydroiodide
CID 171377091
N-[4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide
CID 171377092

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2E)-2-(1-prop-2-enyl-2-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide?
The IUPAC name of N-[4-[(2E)-2-(1-prop-2-enyl-2-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide (CID 126419249) is N-[4-[(2E)-2-(1-prop-2-enyl-2-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide.
What is the SMILES notation for N-[4-[(2E)-2-(1-prop-2-enyl-2-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide?
The canonical SMILES for N-[4-[(2E)-2-(1-prop-2-enyl-2-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide is C=CCN1C=CC=C/C1=C\C=C1C=CC(=NC(C)=O)C=C1.
What is the InChIKey of N-[4-[(2E)-2-(1-prop-2-enyl-2-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide?
The InChIKey is BBIUZTIRLBFWSF-PFTHRHHBSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-13-20-14-5-4-6-18(20)12-9-16-7-10-17(11-8-16)19-15(2)21/h3-12,14H,1,13H2,2H3/b16-9-,18-12+,19-17+.
What are the key properties of N-[4-[(2E)-2-(1-prop-2-enyl-2-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide?
N-[4-[(2E)-2-(1-prop-2-enyl-2-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide has a molecular weight of 278.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2E)-2-(1-prop-2-enyl-2-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]acetamide is sourced from PubChem (CID 126419249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).