(2S)-1-(5-methylcyclopenta-1,3-diene-1-carbonyl)pyrrolidine-2-carbaldehyde

C12H15NO2 — CID 89050259

IUPAC(2S)-1-(5-methylcyclopenta-1,3-diene-1-carbonyl)pyrrolidine-2-carbaldehyde
SMILESCC1C=CC=C1C(=O)N1CCC[C@H]1C=O
InChIInChI=1S/C12H15NO2/c1-9-4-2-6-11(9)12(15)13-7-3-5-10(13)8-14/h2,4,6,8-10H,3,5,7H2,1H3/t9?,10-/m0/s1
InChIKeySVGNNALZSWOZQR-AXDSSHIGSA-N
MW205.26 g/mol
LogP1.31
Rot. Bonds2

About (2S)-1-(5-methylcyclopenta-1,3-diene-1-carbonyl)pyrrolidine-2-carbaldehyde

(2S)-1-(5-methylcyclopenta-1,3-diene-1-carbonyl)pyrrolidine-2-carbaldehyde (PubChem CID 89050259) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (2S)-1-(5-methylcyclopenta-1,3-diene-1-carbonyl)pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-1-(5-methylcyclopenta-1,3-diene-1-carbonyl)pyrrolidine-2-carbaldehyde
PubChem CID89050259
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(2S)-1-(5-methylcyclopenta-1,3-diene-1-carbonyl)pyrrolidine-2-carbaldehyde
SMILESCC1C=CC=C1C(=O)N1CCC[C@H]1C=O
InChIInChI=1S/C12H15NO2/c1-9-4-2-6-11(9)12(15)13-7-3-5-10(13)8-14/h2,4,6,8-10H,3,5,7H2,1H3/t9?,10-/m0/s1
InChIKeySVGNNALZSWOZQR-AXDSSHIGSA-N
XLogP1.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-1-(5-methylcyclopenta-1,3-diene-1-carbonyl)pyrrolidine-2-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 (2S)-1-(5-methylcyclopenta-1,3-diene-1-carbonyl)pyrrolidine-2-carbaldehyde?
The IUPAC name of (2S)-1-(5-methylcyclopenta-1,3-diene-1-carbonyl)pyrrolidine-2-carbaldehyde (CID 89050259) is (2S)-1-(5-methylcyclopenta-1,3-diene-1-carbonyl)pyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2S)-1-(5-methylcyclopenta-1,3-diene-1-carbonyl)pyrrolidine-2-carbaldehyde?
The canonical SMILES for (2S)-1-(5-methylcyclopenta-1,3-diene-1-carbonyl)pyrrolidine-2-carbaldehyde is CC1C=CC=C1C(=O)N1CCC[C@H]1C=O.
What is the InChIKey of (2S)-1-(5-methylcyclopenta-1,3-diene-1-carbonyl)pyrrolidine-2-carbaldehyde?
The InChIKey is SVGNNALZSWOZQR-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-4-2-6-11(9)12(15)13-7-3-5-10(13)8-14/h2,4,6,8-10H,3,5,7H2,1H3/t9?,10-/m0/s1.
What are the key properties of (2S)-1-(5-methylcyclopenta-1,3-diene-1-carbonyl)pyrrolidine-2-carbaldehyde?
(2S)-1-(5-methylcyclopenta-1,3-diene-1-carbonyl)pyrrolidine-2-carbaldehyde has a molecular weight of 205.26 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-methylcyclopenta-1,3-diene-1-carbonyl)pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 89050259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).