4-(dimethylamino)cyclohepta-1,3-diene-1-carbaldehyde

C10H15NO — CID 154986715

IUPAC4-(dimethylamino)cyclohepta-1,3-diene-1-carbaldehyde
SMILESCN(C)C1=CC=C(C=O)CCC1
InChIInChI=1S/C10H15NO/c1-11(2)10-5-3-4-9(8-12)6-7-10/h6-8H,3-5H2,1-2H3
InChIKeyIEHQQQZBRKGPRZ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.74
Rot. Bonds2

About 4-(dimethylamino)cyclohepta-1,3-diene-1-carbaldehyde

4-(dimethylamino)cyclohepta-1,3-diene-1-carbaldehyde (PubChem CID 154986715) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(dimethylamino)cyclohepta-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name4-(dimethylamino)cyclohepta-1,3-diene-1-carbaldehyde
PubChem CID154986715
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-(dimethylamino)cyclohepta-1,3-diene-1-carbaldehyde
SMILESCN(C)C1=CC=C(C=O)CCC1
InChIInChI=1S/C10H15NO/c1-11(2)10-5-3-4-9(8-12)6-7-10/h6-8H,3-5H2,1-2H3
InChIKeyIEHQQQZBRKGPRZ-UHFFFAOYSA-N
XLogP1.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)cyclohepta-1,3-diene-1-carbaldehyde?
The IUPAC name of 4-(dimethylamino)cyclohepta-1,3-diene-1-carbaldehyde (CID 154986715) is 4-(dimethylamino)cyclohepta-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 4-(dimethylamino)cyclohepta-1,3-diene-1-carbaldehyde?
The canonical SMILES for 4-(dimethylamino)cyclohepta-1,3-diene-1-carbaldehyde is CN(C)C1=CC=C(C=O)CCC1.
What is the InChIKey of 4-(dimethylamino)cyclohepta-1,3-diene-1-carbaldehyde?
The InChIKey is IEHQQQZBRKGPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-11(2)10-5-3-4-9(8-12)6-7-10/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-(dimethylamino)cyclohepta-1,3-diene-1-carbaldehyde?
4-(dimethylamino)cyclohepta-1,3-diene-1-carbaldehyde has a molecular weight of 165.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)cyclohepta-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 154986715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).