3-(aminomethyl)-4-phenylpyrrole-2,5-dione;azane

C11H13N3O2 — CID 172699438

IUPAC3-(aminomethyl)-4-phenylpyrrole-2,5-dione;azane
SMILESN.NCC1=C(c2ccccc2)C(=O)NC1=O
InChIInChI=1S/C11H10N2O2.H3N/c12-6-8-9(11(15)13-10(8)14)7-4-2-1-3-5-7;/h1-5H,6,12H2,(H,13,14,15);1H3
InChIKeyURIXHPNGXNOXLQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.22
Rot. Bonds2

About 3-(aminomethyl)-4-phenylpyrrole-2,5-dione;azane

3-(aminomethyl)-4-phenylpyrrole-2,5-dione;azane (PubChem CID 172699438) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(aminomethyl)-4-phenylpyrrole-2,5-dione;azane.

Molecular Properties

Compound Name3-(aminomethyl)-4-phenylpyrrole-2,5-dione;azane
PubChem CID172699438
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-(aminomethyl)-4-phenylpyrrole-2,5-dione;azane
SMILESN.NCC1=C(c2ccccc2)C(=O)NC1=O
InChIInChI=1S/C11H10N2O2.H3N/c12-6-8-9(11(15)13-10(8)14)7-4-2-1-3-5-7;/h1-5H,6,12H2,(H,13,14,15);1H3
InChIKeyURIXHPNGXNOXLQ-UHFFFAOYSA-N
XLogP0.22
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-phenylpyrrole-2,5-dione
CID 54119912
4-amino-5-ethyl-5-methyl-3-phenyl-1H-pyrrol-2-one
CID 62705444
3-phenyl-4-prop-2-enylsulfonylpyrrole-2,5-dione
CID 175375503
3-(2-ethenylphenyl)-4-phenylpyrrole-2,5-dione
CID 141489525
(5Z)-4-hydroxy-3-phenyl-5-propylidenepyrrol-2-one
CID 67780587
4-[(4-chlorophenyl)methoxy]-5-phenylpyridine-2,3,6-trione
CID 11067825
3-(4-anilinophenyl)-4-bromopyrrole-2,5-dione
CID 57176195
3-azabicyclo[3.3.1]nona-1(9),5,7-triene-2,4-dione
CID 18926764
2,5-dioxo-3,4-diphenylpyrrole-1-carboxamide
CID 139747977
5-(aminomethyl)-3-phenyl-1H-pyridazin-6-one
CID 82445397
5-(cyclopropylmethylidene)-4-hydroxy-3-phenylpyrrol-2-one
CID 67780592
2-aminoacetic acid;1,1'-biphenyl
CID 22134128

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-phenylpyrrole-2,5-dione;azane?
The IUPAC name of 3-(aminomethyl)-4-phenylpyrrole-2,5-dione;azane (CID 172699438) is 3-(aminomethyl)-4-phenylpyrrole-2,5-dione;azane.
What is the SMILES notation for 3-(aminomethyl)-4-phenylpyrrole-2,5-dione;azane?
The canonical SMILES for 3-(aminomethyl)-4-phenylpyrrole-2,5-dione;azane is N.NCC1=C(c2ccccc2)C(=O)NC1=O.
What is the InChIKey of 3-(aminomethyl)-4-phenylpyrrole-2,5-dione;azane?
The InChIKey is URIXHPNGXNOXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2.H3N/c12-6-8-9(11(15)13-10(8)14)7-4-2-1-3-5-7;/h1-5H,6,12H2,(H,13,14,15);1H3.
What are the key properties of 3-(aminomethyl)-4-phenylpyrrole-2,5-dione;azane?
3-(aminomethyl)-4-phenylpyrrole-2,5-dione;azane has a molecular weight of 219.24 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-phenylpyrrole-2,5-dione;azane is sourced from PubChem (CID 172699438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).