5-[(4-methoxyphenyl)hydrazinylidene]cyclopenta-1,3-diene-1-carbaldehyde

C13H12N2O2 — CID 133083379

IUPAC5-[(4-methoxyphenyl)hydrazinylidene]cyclopenta-1,3-diene-1-carbaldehyde
SMILESCOc1ccc(NN=C2C=CC=C2C=O)cc1
InChIInChI=1S/C13H12N2O2/c1-17-12-7-5-11(6-8-12)14-15-13-4-2-3-10(13)9-16/h2-9,14H,1H3
InChIKeyMQRMJFBEMKQISM-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.16
Rot. Bonds4

About 5-[(4-methoxyphenyl)hydrazinylidene]cyclopenta-1,3-diene-1-carbaldehyde

5-[(4-methoxyphenyl)hydrazinylidene]cyclopenta-1,3-diene-1-carbaldehyde (PubChem CID 133083379) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)hydrazinylidene]cyclopenta-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)hydrazinylidene]cyclopenta-1,3-diene-1-carbaldehyde
PubChem CID133083379
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name5-[(4-methoxyphenyl)hydrazinylidene]cyclopenta-1,3-diene-1-carbaldehyde
SMILESCOc1ccc(NN=C2C=CC=C2C=O)cc1
InChIInChI=1S/C13H12N2O2/c1-17-12-7-5-11(6-8-12)14-15-13-4-2-3-10(13)9-16/h2-9,14H,1H3
InChIKeyMQRMJFBEMKQISM-UHFFFAOYSA-N
XLogP2.16
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis((5Z)-5-[(4-methoxyphenyl)hydrazinylidene]-8-oxoquinoline-7-carbaldehyde);nickel
CID 11050655
4-methoxy-N-(propan-2-yldiazenyl)aniline
CID 19905788
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
1-[(4-methoxyphenyl)hydrazinylidene]butan-2-yl formate
CID 174940935
(2Z)-2-[(4-methoxyphenyl)hydrazinylidene]-4-methylcyclohexan-1-one
CID 6454381
N'-(4-methoxyanilino)-2-oxopropanimidamide
CID 6340122
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510327
N-[4-(4-methoxyphenyl)anilino]formamide
CID 140931286
CID 12607295
CID 12607295
(5R)-3-[(4-methoxyphenyl)hydrazinylidene]-5-methylpiperidin-2-one
CID 139711863
(4-methoxyphenyl) nitrite
CID 118559618
1-methoxy-4-[2-(4-methoxyanilino)hydrazinyl]benzene
CID 163682432

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)hydrazinylidene]cyclopenta-1,3-diene-1-carbaldehyde?
The IUPAC name of 5-[(4-methoxyphenyl)hydrazinylidene]cyclopenta-1,3-diene-1-carbaldehyde (CID 133083379) is 5-[(4-methoxyphenyl)hydrazinylidene]cyclopenta-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 5-[(4-methoxyphenyl)hydrazinylidene]cyclopenta-1,3-diene-1-carbaldehyde?
The canonical SMILES for 5-[(4-methoxyphenyl)hydrazinylidene]cyclopenta-1,3-diene-1-carbaldehyde is COc1ccc(NN=C2C=CC=C2C=O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)hydrazinylidene]cyclopenta-1,3-diene-1-carbaldehyde?
The InChIKey is MQRMJFBEMKQISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-17-12-7-5-11(6-8-12)14-15-13-4-2-3-10(13)9-16/h2-9,14H,1H3.
What are the key properties of 5-[(4-methoxyphenyl)hydrazinylidene]cyclopenta-1,3-diene-1-carbaldehyde?
5-[(4-methoxyphenyl)hydrazinylidene]cyclopenta-1,3-diene-1-carbaldehyde has a molecular weight of 228.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)hydrazinylidene]cyclopenta-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 133083379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).