6-[4-(dimethylamino)phenyl]-4-methylcyclohexa-1,3-diene-1-carbaldehyde

C16H19NO — CID 24859258

IUPAC6-[4-(dimethylamino)phenyl]-4-methylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCC1=CC=C(C=O)C(c2ccc(N(C)C)cc2)C1
InChIInChI=1S/C16H19NO/c1-12-4-5-14(11-18)16(10-12)13-6-8-15(9-7-13)17(2)3/h4-9,11,16H,10H2,1-3H3
InChIKeySZFYGFSGVSVCAV-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.31
Rot. Bonds3

About 6-[4-(dimethylamino)phenyl]-4-methylcyclohexa-1,3-diene-1-carbaldehyde

6-[4-(dimethylamino)phenyl]-4-methylcyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 24859258) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-4-methylcyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-4-methylcyclohexa-1,3-diene-1-carbaldehyde
PubChem CID24859258
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name6-[4-(dimethylamino)phenyl]-4-methylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCC1=CC=C(C=O)C(c2ccc(N(C)C)cc2)C1
InChIInChI=1S/C16H19NO/c1-12-4-5-14(11-18)16(10-12)13-6-8-15(9-7-13)17(2)3/h4-9,11,16H,10H2,1-3H3
InChIKeySZFYGFSGVSVCAV-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-4-methylcyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-4-methylcyclohexa-1,3-diene-1-carbaldehyde (CID 24859258) is 6-[4-(dimethylamino)phenyl]-4-methylcyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-4-methylcyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-4-methylcyclohexa-1,3-diene-1-carbaldehyde is CC1=CC=C(C=O)C(c2ccc(N(C)C)cc2)C1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-4-methylcyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is SZFYGFSGVSVCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-4-5-14(11-18)16(10-12)13-6-8-15(9-7-13)17(2)3/h4-9,11,16H,10H2,1-3H3.
What are the key properties of 6-[4-(dimethylamino)phenyl]-4-methylcyclohexa-1,3-diene-1-carbaldehyde?
6-[4-(dimethylamino)phenyl]-4-methylcyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 241.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-4-methylcyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 24859258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).