2-[(dimethylamino)methyl]cyclopenta-2,4-diene-1-carbaldehyde

C9H13NO — CID 12966009

IUPAC2-[(dimethylamino)methyl]cyclopenta-2,4-diene-1-carbaldehyde
SMILESCN(C)CC1=CC=CC1C=O
InChIInChI=1S/C9H13NO/c1-10(2)6-8-4-3-5-9(8)7-11/h3-5,7,9H,6H2,1-2H3
InChIKeyOLNKMIRPMMNGNR-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.86
Rot. Bonds3

About 2-[(dimethylamino)methyl]cyclopenta-2,4-diene-1-carbaldehyde

2-[(dimethylamino)methyl]cyclopenta-2,4-diene-1-carbaldehyde (PubChem CID 12966009) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]cyclopenta-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]cyclopenta-2,4-diene-1-carbaldehyde
PubChem CID12966009
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-[(dimethylamino)methyl]cyclopenta-2,4-diene-1-carbaldehyde
SMILESCN(C)CC1=CC=CC1C=O
InChIInChI=1S/C9H13NO/c1-10(2)6-8-4-3-5-9(8)7-11/h3-5,7,9H,6H2,1-2H3
InChIKeyOLNKMIRPMMNGNR-UHFFFAOYSA-N
XLogP0.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.86
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 2-[(dimethylamino)methyl]cyclopenta-2,4-diene-1-carbaldehyde?
The IUPAC name of 2-[(dimethylamino)methyl]cyclopenta-2,4-diene-1-carbaldehyde (CID 12966009) is 2-[(dimethylamino)methyl]cyclopenta-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 2-[(dimethylamino)methyl]cyclopenta-2,4-diene-1-carbaldehyde?
The canonical SMILES for 2-[(dimethylamino)methyl]cyclopenta-2,4-diene-1-carbaldehyde is CN(C)CC1=CC=CC1C=O.
What is the InChIKey of 2-[(dimethylamino)methyl]cyclopenta-2,4-diene-1-carbaldehyde?
The InChIKey is OLNKMIRPMMNGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-10(2)6-8-4-3-5-9(8)7-11/h3-5,7,9H,6H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]cyclopenta-2,4-diene-1-carbaldehyde?
2-[(dimethylamino)methyl]cyclopenta-2,4-diene-1-carbaldehyde has a molecular weight of 151.21 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]cyclopenta-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 12966009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).