2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]benzaldehyde

C14H15NO — CID 154426442

IUPAC2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]benzaldehyde
SMILESCN(C)C1=CC=CC1c1ccccc1C=O
InChIInChI=1S/C14H15NO/c1-15(2)14-9-5-8-13(14)12-7-4-3-6-11(12)10-16/h3-10,13H,1-2H3
InChIKeyJZASVDLSVOUART-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.60
Rot. Bonds3

About 2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]benzaldehyde

2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]benzaldehyde (PubChem CID 154426442) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]benzaldehyde.

Molecular Properties

Compound Name2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]benzaldehyde
PubChem CID154426442
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]benzaldehyde
SMILESCN(C)C1=CC=CC1c1ccccc1C=O
InChIInChI=1S/C14H15NO/c1-15(2)14-9-5-8-13(14)12-7-4-3-6-11(12)10-16/h3-10,13H,1-2H3
InChIKeyJZASVDLSVOUART-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylcyclopenta-2,4-dien-1-yl)benzaldehyde
CID 154426433
5-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,3-dien-1-amine
CID 141067018
2-hydroxybenzaldehyde;nickel(2+)
CID 18320961
2-(2-methoxy-3-methylcyclopentyl)benzaldehyde
CID 88745680
2-cyclodecylbenzaldehyde
CID 142358507
2-(5-methyl-1,2,4-trioxolan-3-yl)benzaldehyde
CID 134937460
CID 158421076
CID 158421076
2-hydroxybenzaldehyde;methanamine
CID 174602056
2-[bis(trimethylsilyl)amino]benzaldehyde
CID 88850673
3-(1,3-dioxan-2-yl)-2-methylbenzaldehyde
CID 91416344
2-(3-oxocyclohexyl)benzaldehyde
CID 115022556
diethyl 2-(dimethylamino)-4-(2-formylphenyl)-1,6-dimethyl-4H-pyridine-3,5-dicarboxylate
CID 86746312

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]benzaldehyde?
The IUPAC name of 2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]benzaldehyde (CID 154426442) is 2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]benzaldehyde.
What is the SMILES notation for 2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]benzaldehyde?
The canonical SMILES for 2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]benzaldehyde is CN(C)C1=CC=CC1c1ccccc1C=O.
What is the InChIKey of 2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]benzaldehyde?
The InChIKey is JZASVDLSVOUART-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-15(2)14-9-5-8-13(14)12-7-4-3-6-11(12)10-16/h3-10,13H,1-2H3.
What are the key properties of 2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]benzaldehyde?
2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]benzaldehyde has a molecular weight of 213.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]benzaldehyde is sourced from PubChem (CID 154426442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).