1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione

C14H16N2O2 — CID 19438633

IUPAC1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione
SMILESCN(CCCN1C(=O)C=CC1=O)c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-15(12-6-3-2-4-7-12)10-5-11-16-13(17)8-9-14(16)18/h2-4,6-9H,5,10-11H2,1H3
InChIKeyDBJCHYFZMPMUGF-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.44
Rot. Bonds5

About 1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione

1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione (PubChem CID 19438633) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione
PubChem CID19438633
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione
SMILESCN(CCCN1C(=O)C=CC1=O)c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-15(12-6-3-2-4-7-12)10-5-11-16-13(17)8-9-14(16)18/h2-4,6-9H,5,10-11H2,1H3
InChIKeyDBJCHYFZMPMUGF-UHFFFAOYSA-N
XLogP1.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(3-pyrrol-1-ylpropyl)aniline
CID 43510642
N-heptyl-N-methylaniline
CID 54015540
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
N-dodecyl-N-methylaniline;hydrochloride
CID 23333551
ethene;N'-methyl-N'-phenylpropane-1,3-diamine
CID 143617453
ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
CID 177320801
1-butylpyrrole-2,5-dione;silane
CID 160820729
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 69244410
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
[3-[3-(N-methylanilino)propyl]imidazol-4-yl]methanol
CID 66149149
1-[3-(N-methylanilino)propyl]-4-(oxan-4-yl)tetrazol-5-one
CID 167945745
1-[3-(2-methylphenoxy)propyl]pyrrole-2,5-dione
CID 94688559

Frequently Asked Questions

What is the IUPAC name of 1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione (CID 19438633) is 1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione is CN(CCCN1C(=O)C=CC1=O)c1ccccc1.
What is the InChIKey of 1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione?
The InChIKey is DBJCHYFZMPMUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-15(12-6-3-2-4-7-12)10-5-11-16-13(17)8-9-14(16)18/h2-4,6-9H,5,10-11H2,1H3.
What are the key properties of 1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione?
1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione has a molecular weight of 244.29 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione is sourced from PubChem (CID 19438633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).