1,5-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole-3-carbaldehyde

C10H15NO — CID 88884714

IUPAC1,5-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole-3-carbaldehyde
SMILESC/C=C\C1=C(C)N(C)CC1C=O
InChIInChI=1S/C10H15NO/c1-4-5-10-8(2)11(3)6-9(10)7-12/h4-5,7,9H,6H2,1-3H3/b5-4-
InChIKeyXOGQTRHJAYFIMH-PLNGDYQASA-N
MW165.24 g/mol
LogP1.60
Rot. Bonds2

About 1,5-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole-3-carbaldehyde

1,5-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole-3-carbaldehyde (PubChem CID 88884714) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1,5-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1,5-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole-3-carbaldehyde
PubChem CID88884714
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1,5-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole-3-carbaldehyde
SMILESC/C=C\C1=C(C)N(C)CC1C=O
InChIInChI=1S/C10H15NO/c1-4-5-10-8(2)11(3)6-9(10)7-12/h4-5,7,9H,6H2,1-3H3/b5-4-
InChIKeyXOGQTRHJAYFIMH-PLNGDYQASA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,5-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole-3-carbaldehyde?
The IUPAC name of 1,5-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole-3-carbaldehyde (CID 88884714) is 1,5-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole-3-carbaldehyde.
What is the SMILES notation for 1,5-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole-3-carbaldehyde?
The canonical SMILES for 1,5-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole-3-carbaldehyde is C/C=C\C1=C(C)N(C)CC1C=O.
What is the InChIKey of 1,5-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole-3-carbaldehyde?
The InChIKey is XOGQTRHJAYFIMH-PLNGDYQASA-N. The full InChI is InChI=1S/C10H15NO/c1-4-5-10-8(2)11(3)6-9(10)7-12/h4-5,7,9H,6H2,1-3H3/b5-4-.
What are the key properties of 1,5-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole-3-carbaldehyde?
1,5-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole-3-carbaldehyde has a molecular weight of 165.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole-3-carbaldehyde is sourced from PubChem (CID 88884714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).