N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dihydroisoindol-2-amine

C12H15N3 — CID 23342926

IUPACN-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dihydroisoindol-2-amine
SMILESc1ccc2c(c1)CN(NC1=NCCC1)C2
InChIInChI=1S/C12H15N3/c1-2-5-11-9-15(8-10(11)4-1)14-12-6-3-7-13-12/h1-2,4-5H,3,6-9H2,(H,13,14)
InChIKeyMBUAOBMVGGKUGJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.70
Rot. Bonds1

About N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dihydroisoindol-2-amine

N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dihydroisoindol-2-amine (PubChem CID 23342926) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dihydroisoindol-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dihydroisoindol-2-amine
PubChem CID23342926
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dihydroisoindol-2-amine
SMILESc1ccc2c(c1)CN(NC1=NCCC1)C2
InChIInChI=1S/C12H15N3/c1-2-5-11-9-15(8-10(11)4-1)14-12-6-3-7-13-12/h1-2,4-5H,3,6-9H2,(H,13,14)
InChIKeyMBUAOBMVGGKUGJ-UHFFFAOYSA-N
XLogP1.70
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dihydroisoindol-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dihydroisoindol-2-amine (CID 23342926) is N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dihydroisoindol-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dihydroisoindol-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dihydroisoindol-2-amine is c1ccc2c(c1)CN(NC1=NCCC1)C2.
What is the InChIKey of N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dihydroisoindol-2-amine?
The InChIKey is MBUAOBMVGGKUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-5-11-9-15(8-10(11)4-1)14-12-6-3-7-13-12/h1-2,4-5H,3,6-9H2,(H,13,14).
What are the key properties of N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dihydroisoindol-2-amine?
N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dihydroisoindol-2-amine has a molecular weight of 201.27 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dihydroisoindol-2-amine is sourced from PubChem (CID 23342926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).