3-chloro-4-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrole-2,5-dione

C15H15ClN2O3 — CID 699001

IUPAC3-chloro-4-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(NC[C@@H]2CCCO2)C(=O)N1c1ccccc1
InChIInChI=1S/C15H15ClN2O3/c16-12-13(17-9-11-7-4-8-21-11)15(20)18(14(12)19)10-5-2-1-3-6-10/h1-3,5-6,11,17H,4,7-9H2/t11-/m0/s1
InChIKeyMTFSFJBVNNSFCP-NSHDSACASA-N
MW306.75 g/mol
LogP1.78
Rot. Bonds4

About 3-chloro-4-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrole-2,5-dione

3-chloro-4-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrole-2,5-dione (PubChem CID 699001) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-chloro-4-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrole-2,5-dione
PubChem CID699001
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name3-chloro-4-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(NC[C@@H]2CCCO2)C(=O)N1c1ccccc1
InChIInChI=1S/C15H15ClN2O3/c16-12-13(17-9-11-7-4-8-21-11)15(20)18(14(12)19)10-5-2-1-3-6-10/h1-3,5-6,11,17H,4,7-9H2/t11-/m0/s1
InChIKeyMTFSFJBVNNSFCP-NSHDSACASA-N
XLogP1.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-4-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrole-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

3-chloro-1-(4-chlorophenyl)-4-(oxolan-2-ylmethylamino)pyrrole-2,5-dione
CID 4124404
1-(4-bromophenyl)-3-chloro-4-(oxolan-2-ylmethylamino)pyrrole-2,5-dione
CID 3566422
(3R)-3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820458
4-[[4-chloro-1-(3,4-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4050970
N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine
CID 8001539
5-(oxolan-2-ylmethylamino)-1-phenylpyrazole-4-carboxylic acid
CID 141299942
3-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione
CID 121205371
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976
2-(3-bromophenyl)-6-(oxolan-2-ylmethylamino)benzo[de]isoquinoline-1,3-dione
CID 11576025
2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 43115525
1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]-2-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]isoindole-5-carboxamide
CID 41340050
1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]-2-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]isoindole-5-carboxamide
CID 28958348

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrole-2,5-dione (CID 699001) is 3-chloro-4-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrole-2,5-dione is O=C1C(Cl)=C(NC[C@@H]2CCCO2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-chloro-4-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrole-2,5-dione?
The InChIKey is MTFSFJBVNNSFCP-NSHDSACASA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-12-13(17-9-11-7-4-8-21-11)15(20)18(14(12)19)10-5-2-1-3-6-10/h1-3,5-6,11,17H,4,7-9H2/t11-/m0/s1.
What are the key properties of 3-chloro-4-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrole-2,5-dione?
3-chloro-4-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrole-2,5-dione has a molecular weight of 306.75 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 699001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).