7-methyl-5-methylidene-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinoline-8-carbaldehyde

C15H17NO — CID 143722295

IUPAC7-methyl-5-methylidene-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinoline-8-carbaldehyde
SMILESC=C1c2cc(C)c(C=O)cc2CC2CCCN12
InChIInChI=1S/C15H17NO/c1-10-6-15-11(2)16-5-3-4-14(16)8-12(15)7-13(10)9-17/h6-7,9,14H,2-5,8H2,1H3
InChIKeyXIVRFNPCTZIPOH-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.80
Rot. Bonds1

About 7-methyl-5-methylidene-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinoline-8-carbaldehyde

7-methyl-5-methylidene-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinoline-8-carbaldehyde (PubChem CID 143722295) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 7-methyl-5-methylidene-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinoline-8-carbaldehyde.

Molecular Properties

Compound Name7-methyl-5-methylidene-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinoline-8-carbaldehyde
PubChem CID143722295
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name7-methyl-5-methylidene-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinoline-8-carbaldehyde
SMILESC=C1c2cc(C)c(C=O)cc2CC2CCCN12
InChIInChI=1S/C15H17NO/c1-10-6-15-11(2)16-5-3-4-14(16)8-12(15)7-13(10)9-17/h6-7,9,14H,2-5,8H2,1H3
InChIKeyXIVRFNPCTZIPOH-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-methyl-5-methylidene-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinoline-8-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 7-methyl-5-methylidene-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinoline-8-carbaldehyde?
The IUPAC name of 7-methyl-5-methylidene-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinoline-8-carbaldehyde (CID 143722295) is 7-methyl-5-methylidene-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinoline-8-carbaldehyde.
What is the SMILES notation for 7-methyl-5-methylidene-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinoline-8-carbaldehyde?
The canonical SMILES for 7-methyl-5-methylidene-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinoline-8-carbaldehyde is C=C1c2cc(C)c(C=O)cc2CC2CCCN12.
What is the InChIKey of 7-methyl-5-methylidene-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinoline-8-carbaldehyde?
The InChIKey is XIVRFNPCTZIPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10-6-15-11(2)16-5-3-4-14(16)8-12(15)7-13(10)9-17/h6-7,9,14H,2-5,8H2,1H3.
What are the key properties of 7-methyl-5-methylidene-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinoline-8-carbaldehyde?
7-methyl-5-methylidene-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinoline-8-carbaldehyde has a molecular weight of 227.31 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-methylidene-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinoline-8-carbaldehyde is sourced from PubChem (CID 143722295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).