2-[[8-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione

C24H22N2O2 — CID 139958917

IUPAC2-[[8-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cccc2cccc(CN3CCCC3)c12
InChIInChI=1S/C24H22N2O2/c27-23-20-11-1-2-12-21(20)24(28)26(23)16-19-10-6-8-17-7-5-9-18(22(17)19)15-25-13-3-4-14-25/h1-2,5-12H,3-4,13-16H2
InChIKeyGEYWENVCWPBGJM-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.23
Rot. Bonds4

About 2-[[8-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione

2-[[8-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione (PubChem CID 139958917) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[[8-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[8-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione
PubChem CID139958917
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name2-[[8-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cccc2cccc(CN3CCCC3)c12
InChIInChI=1S/C24H22N2O2/c27-23-20-11-1-2-12-21(20)24(28)26(23)16-19-10-6-8-17-7-5-9-18(22(17)19)15-25-13-3-4-14-25/h1-2,5-12H,3-4,13-16H2
InChIKeyGEYWENVCWPBGJM-UHFFFAOYSA-N
XLogP4.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.23
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

2-[[8-(piperazin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione
CID 139959109
2-(2-piperidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione
CID 3389100
1-(piperidin-1-ylmethyl)benzo[cd]indol-2-one
CID 722274
1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one
CID 116619002
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 59323393
2-[(2-ethynylphenyl)methyl]isoindole-1,3-dione
CID 90051753
1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one
CID 24692767
2-(pyrrolidin-1-ylmethyl)benzenethiol
CID 46785608
2-[[2-[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]phenyl]methyl]isoindole-1,3-dione
CID 139959099
1-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]indole-2,3-dione
CID 9282637
2-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione
CID 17023423

Frequently Asked Questions

What is the IUPAC name of 2-[[8-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[8-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione (CID 139958917) is 2-[[8-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[8-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[8-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1cccc2cccc(CN3CCCC3)c12.
What is the InChIKey of 2-[[8-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione?
The InChIKey is GEYWENVCWPBGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c27-23-20-11-1-2-12-21(20)24(28)26(23)16-19-10-6-8-17-7-5-9-18(22(17)19)15-25-13-3-4-14-25/h1-2,5-12H,3-4,13-16H2.
What are the key properties of 2-[[8-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione?
2-[[8-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione has a molecular weight of 370.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 139958917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).