(3E)-3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carbaldehyde

C9H11NO — CID 53471739

IUPAC(3E)-3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carbaldehyde
SMILESCN(C)/C=C1\C=CC(C=O)=C1
InChIInChI=1S/C9H11NO/c1-10(2)6-8-3-4-9(5-8)7-11/h3-7H,1-2H3/b8-6+
InChIKeyBTXPWQOMGRYMGB-SOFGYWHQSA-N
MW149.19 g/mol
LogP1.13
Rot. Bonds2

About (3E)-3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carbaldehyde

(3E)-3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carbaldehyde (PubChem CID 53471739) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (3E)-3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name(3E)-3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carbaldehyde
PubChem CID53471739
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(3E)-3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carbaldehyde
SMILESCN(C)/C=C1\C=CC(C=O)=C1
InChIInChI=1S/C9H11NO/c1-10(2)6-8-3-4-9(5-8)7-11/h3-7H,1-2H3/b8-6+
InChIKeyBTXPWQOMGRYMGB-SOFGYWHQSA-N
XLogP1.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.13
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 (3E)-3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carbaldehyde?
The IUPAC name of (3E)-3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carbaldehyde (CID 53471739) is (3E)-3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carbaldehyde.
What is the SMILES notation for (3E)-3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carbaldehyde?
The canonical SMILES for (3E)-3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carbaldehyde is CN(C)/C=C1\C=CC(C=O)=C1.
What is the InChIKey of (3E)-3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carbaldehyde?
The InChIKey is BTXPWQOMGRYMGB-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H11NO/c1-10(2)6-8-3-4-9(5-8)7-11/h3-7H,1-2H3/b8-6+.
What are the key properties of (3E)-3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carbaldehyde?
(3E)-3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carbaldehyde has a molecular weight of 149.19 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carbaldehyde is sourced from PubChem (CID 53471739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).