4-(diethylamino)cyclohexa-1,3-diene-1-carbaldehyde

C11H17NO — CID 89122103

IUPAC4-(diethylamino)cyclohexa-1,3-diene-1-carbaldehyde
SMILESCCN(CC)C1=CC=C(C=O)CC1
InChIInChI=1S/C11H17NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeySFZGUCWTYCOOPI-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.13
Rot. Bonds4

About 4-(diethylamino)cyclohexa-1,3-diene-1-carbaldehyde

4-(diethylamino)cyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 89122103) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(diethylamino)cyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name4-(diethylamino)cyclohexa-1,3-diene-1-carbaldehyde
PubChem CID89122103
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-(diethylamino)cyclohexa-1,3-diene-1-carbaldehyde
SMILESCCN(CC)C1=CC=C(C=O)CC1
InChIInChI=1S/C11H17NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeySFZGUCWTYCOOPI-UHFFFAOYSA-N
XLogP2.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.13
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-(diethylamino)cyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 4-(diethylamino)cyclohexa-1,3-diene-1-carbaldehyde (CID 89122103) is 4-(diethylamino)cyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 4-(diethylamino)cyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 4-(diethylamino)cyclohexa-1,3-diene-1-carbaldehyde is CCN(CC)C1=CC=C(C=O)CC1.
What is the InChIKey of 4-(diethylamino)cyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is SFZGUCWTYCOOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5,7,9H,3-4,6,8H2,1-2H3.
What are the key properties of 4-(diethylamino)cyclohexa-1,3-diene-1-carbaldehyde?
4-(diethylamino)cyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 179.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)cyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 89122103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).