2-[[1-(2-aminoethyl)cyclopropyl]methyl]-4H-isoquinoline-1,3-dione

C15H18N2O2 — CID 65481749

IUPAC2-[[1-(2-aminoethyl)cyclopropyl]methyl]-4H-isoquinoline-1,3-dione
SMILESNCCC1(CN2C(=O)Cc3ccccc3C2=O)CC1
InChIInChI=1S/C15H18N2O2/c16-8-7-15(5-6-15)10-17-13(18)9-11-3-1-2-4-12(11)14(17)19/h1-4H,5-10,16H2
InChIKeyCUWHEVQYNJZJNR-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.34
Rot. Bonds4

About 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-4H-isoquinoline-1,3-dione

2-[[1-(2-aminoethyl)cyclopropyl]methyl]-4H-isoquinoline-1,3-dione (PubChem CID 65481749) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[[1-(2-aminoethyl)cyclopropyl]methyl]-4H-isoquinoline-1,3-dione
PubChem CID65481749
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[[1-(2-aminoethyl)cyclopropyl]methyl]-4H-isoquinoline-1,3-dione
SMILESNCCC1(CN2C(=O)Cc3ccccc3C2=O)CC1
InChIInChI=1S/C15H18N2O2/c16-8-7-15(5-6-15)10-17-13(18)9-11-3-1-2-4-12(11)14(17)19/h1-4H,5-10,16H2
InChIKeyCUWHEVQYNJZJNR-UHFFFAOYSA-N
XLogP1.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-4H-isoquinoline-1,3-dione?
The IUPAC name of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-4H-isoquinoline-1,3-dione (CID 65481749) is 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-4H-isoquinoline-1,3-dione?
The canonical SMILES for 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-4H-isoquinoline-1,3-dione is NCCC1(CN2C(=O)Cc3ccccc3C2=O)CC1.
What is the InChIKey of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-4H-isoquinoline-1,3-dione?
The InChIKey is CUWHEVQYNJZJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-8-7-15(5-6-15)10-17-13(18)9-11-3-1-2-4-12(11)14(17)19/h1-4H,5-10,16H2.
What are the key properties of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-4H-isoquinoline-1,3-dione?
2-[[1-(2-aminoethyl)cyclopropyl]methyl]-4H-isoquinoline-1,3-dione has a molecular weight of 258.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 65481749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).