2-cyclopropyl-6-[2-(methylamino)ethyl]-3H-isoindol-1-one

C14H18N2O — CID 83840436

IUPAC2-cyclopropyl-6-[2-(methylamino)ethyl]-3H-isoindol-1-one
SMILESCNCCc1ccc2c(c1)C(=O)N(C1CC1)C2
InChIInChI=1S/C14H18N2O/c1-15-7-6-10-2-3-11-9-16(12-4-5-12)14(17)13(11)8-10/h2-3,8,12,15H,4-7,9H2,1H3
InChIKeyQHIKUUUEHIDVCE-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.57
Rot. Bonds4

About 2-cyclopropyl-6-[2-(methylamino)ethyl]-3H-isoindol-1-one

2-cyclopropyl-6-[2-(methylamino)ethyl]-3H-isoindol-1-one (PubChem CID 83840436) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-cyclopropyl-6-[2-(methylamino)ethyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-cyclopropyl-6-[2-(methylamino)ethyl]-3H-isoindol-1-one
PubChem CID83840436
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-cyclopropyl-6-[2-(methylamino)ethyl]-3H-isoindol-1-one
SMILESCNCCc1ccc2c(c1)C(=O)N(C1CC1)C2
InChIInChI=1S/C14H18N2O/c1-15-7-6-10-2-3-11-9-16(12-4-5-12)14(17)13(11)8-10/h2-3,8,12,15H,4-7,9H2,1H3
InChIKeyQHIKUUUEHIDVCE-UHFFFAOYSA-N
XLogP1.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)butanoic acid
CID 117401771
2-cyclopropyl-6-(piperidin-4-ylmethyl)-3H-isoindol-1-one
CID 117429366
2-cyclopropyl-3-oxo-1H-isoindole-5-carbaldehyde
CID 83819356
3-[5-[[methyl-[3-(methylamino)propyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717842
3-[5-[[methyl-[4-(methylamino)butyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167739807
3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163614917
(3R)-3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 174302674
3-amino-3-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)propanoic acid
CID 117404902
6-amino-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one
CID 170046281
2-cyclopropyl-6-pyrrolidin-2-yl-3H-isoindol-1-one
CID 117358132
3-(2-methyl-3-oxo-1H-isoindol-5-yl)propanal
CID 117291557
2-cyclopropyl-6-piperidin-4-yloxy-3H-isoindol-1-one
CID 129278486

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[2-(methylamino)ethyl]-3H-isoindol-1-one?
The IUPAC name of 2-cyclopropyl-6-[2-(methylamino)ethyl]-3H-isoindol-1-one (CID 83840436) is 2-cyclopropyl-6-[2-(methylamino)ethyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-cyclopropyl-6-[2-(methylamino)ethyl]-3H-isoindol-1-one?
The canonical SMILES for 2-cyclopropyl-6-[2-(methylamino)ethyl]-3H-isoindol-1-one is CNCCc1ccc2c(c1)C(=O)N(C1CC1)C2.
What is the InChIKey of 2-cyclopropyl-6-[2-(methylamino)ethyl]-3H-isoindol-1-one?
The InChIKey is QHIKUUUEHIDVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-15-7-6-10-2-3-11-9-16(12-4-5-12)14(17)13(11)8-10/h2-3,8,12,15H,4-7,9H2,1H3.
What are the key properties of 2-cyclopropyl-6-[2-(methylamino)ethyl]-3H-isoindol-1-one?
2-cyclopropyl-6-[2-(methylamino)ethyl]-3H-isoindol-1-one has a molecular weight of 230.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[2-(methylamino)ethyl]-3H-isoindol-1-one is sourced from PubChem (CID 83840436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).